1-(Aminomethyl)-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide

• Catalog Number: ACMA00001178
• Category: Amines
• Molecular Weight: 246.35
• Molecular Formula: C₁₅H₁₇N₃O₂
• Hazard Statements: H302-H410
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound with PubChem CID 61830027?

The molecular formula is C15H22N2O.

What is the molecular weight of the compound?

The molecular weight is 246.35 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 1-(aminomethyl)-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide.

What is the InChI of the compound?

The InChI is InChI=1S/C15H22N2O/c1-11-5-6-13(9-12(11)2)17-14(18)15(10-16)7-3-4-8-15/h5-6,9H,3-4,7-8,10,16H2,1-2H3,(H,17,18).

What is the InChIKey of the compound?

The InChIKey is XLYRKCLFVNYICA-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES is CC1=C(C=C(C=C1)NC(=O)C2(CCCC2)CN)C.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 55.1Ų.

Is the compound's structure canonicalized?

Yes, the compound's structure is canonicalized.

How many heavy atoms are present in the compound?

There are 18 heavy atoms present in the compound.