N-[2-(aminomethyl)cyclohexyl]-N-methylazepane-1-carboxamide

C15H29N3O — CID 79151771

IUPACN-[2-(aminomethyl)cyclohexyl]-N-methylazepane-1-carboxamide
SMILESCN(C(=O)N1CCCCCC1)C1CCCCC1CN
InChIInChI=1S/C15H29N3O/c1-17(14-9-5-4-8-13(14)12-16)15(19)18-10-6-2-3-7-11-18/h13-14H,2-12,16H2,1H3
InChIKeyFUYCKJZOZKCHRS-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.43
Rot. Bonds2

About N-[2-(aminomethyl)cyclohexyl]-N-methylazepane-1-carboxamide

N-[2-(aminomethyl)cyclohexyl]-N-methylazepane-1-carboxamide (PubChem CID 79151771) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-N-methylazepane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-N-methylazepane-1-carboxamide
PubChem CID79151771
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-N-methylazepane-1-carboxamide
SMILESCN(C(=O)N1CCCCCC1)C1CCCCC1CN
InChIInChI=1S/C15H29N3O/c1-17(14-9-5-4-8-13(14)12-16)15(19)18-10-6-2-3-7-11-18/h13-14H,2-12,16H2,1H3
InChIKeyFUYCKJZOZKCHRS-UHFFFAOYSA-N
XLogP2.43
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(aminomethyl)cyclohexyl]-N-methylazepane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N-methylazepane-1-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N-methylazepane-1-carboxamide (CID 79151771) is N-[2-(aminomethyl)cyclohexyl]-N-methylazepane-1-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-N-methylazepane-1-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-N-methylazepane-1-carboxamide is CN(C(=O)N1CCCCCC1)C1CCCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-N-methylazepane-1-carboxamide?
The InChIKey is FUYCKJZOZKCHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-17(14-9-5-4-8-13(14)12-16)15(19)18-10-6-2-3-7-11-18/h13-14H,2-12,16H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-N-methylazepane-1-carboxamide?
N-[2-(aminomethyl)cyclohexyl]-N-methylazepane-1-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-N-methylazepane-1-carboxamide is sourced from PubChem (CID 79151771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).