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Structure

N-[(1-Butyl-2-piperidinyl)methyl]-1-propanamine

CAS
901586-09-2
Catalog Number
ACM901586092
Category
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What is the molecular formula of the compound in the reference?

The molecular formula is C13H28N2.

What is the molecular weight of the compound?

The molecular weight is 212.37 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is N-[(1-butylpiperidin-2-yl)methyl]propan-1-amine.

What is the InChI of the compound?

The InChI is InChI=1S/C13H28N2/c1-3-5-10-15-11-7-6-8-13(15)12-14-9-4-2/h13-14H,3-12H2,1-2H3.

What is the InChIKey of the compound?

The InChIKey is XUKQUHJJQLWKKP-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CCCCN1CCCCC1CNCCC.

How many hydrogen bond donor counts are there in the compound?

There is 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts are there in the compound?

There are 2 hydrogen bond acceptor counts.

What is the exact mass of the compound?

The exact mass is 212.225248902 g/mol.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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