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Structure

2-[(Methylamino)methyl]-5-piperidin-1-ylthiophene

CAS
953409-06-8
Catalog Number
ACM953409068
Category
Other Products
Molecular Weight
210.34
Molecular Formula
C11H18N2S

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Specification

Synonyms
N-Methyl-1-[5-(piperidin-1-yl)thiophen-2-yl]methylamine
IUPAC Name
N-methyl-1-(5-piperidin-1-ylthiophen-2-yl)methanamine
Canonical SMILES
CNCC1=CC=C(S1)N2CCCCC2
InChI Key
IYCFKHSEOVLIPK-UHFFFAOYSA-N
Boiling Point
335.7ºC at 760 mmHg
Flash Point
156.8ºC
Density
1.09g/cm³
Exact Mass
210.11900
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 33589555?

The molecular formula is C11H18N2S.

What is the molecular weight of the compound?

The molecular weight is 210.34 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is N-methyl-1-(5-piperidin-1-ylthiophen-2-yl)methanamine.

What is the CAS number of the compound?

The CAS number is 953409-06-8.

What is the canonical SMILES representation of the compound?

The canonical SMILES representation is CNCC1=CC=C(S1)N2CCCCC2.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 2.3.

How many rotatable bond counts does the compound have?

The compound has 3 rotatable bond counts.

What is the exact mass of the compound?

The exact mass is 210.11906976 g/mol.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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