3-amino-N-[(1-methylcyclohexyl)methyl]benzamide

C15H22N2O — CID 103813013

IUPAC3-amino-N-[(1-methylcyclohexyl)methyl]benzamide
SMILESCC1(CNC(=O)c2cccc(N)c2)CCCCC1
InChIInChI=1S/C15H22N2O/c1-15(8-3-2-4-9-15)11-17-14(18)12-6-5-7-13(16)10-12/h5-7,10H,2-4,8-9,11,16H2,1H3,(H,17,18)
InChIKeyQAKRDEMJZGWRAF-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.97
Rot. Bonds3

About 3-amino-N-[(1-methylcyclohexyl)methyl]benzamide

3-amino-N-[(1-methylcyclohexyl)methyl]benzamide (PubChem CID 103813013) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-amino-N-[(1-methylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[(1-methylcyclohexyl)methyl]benzamide
PubChem CID103813013
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-amino-N-[(1-methylcyclohexyl)methyl]benzamide
SMILESCC1(CNC(=O)c2cccc(N)c2)CCCCC1
InChIInChI=1S/C15H22N2O/c1-15(8-3-2-4-9-15)11-17-14(18)12-6-5-7-13(16)10-12/h5-7,10H,2-4,8-9,11,16H2,1H3,(H,17,18)
InChIKeyQAKRDEMJZGWRAF-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-N-[(1-methylcyclohexyl)methyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

3,5-dihydroxy-N-[(1-methylcyclohexyl)methyl]benzamide
CID 104939154
3-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]benzamide;trihydrochloride
CID 119903541
2-amino-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 65349363
3-bromo-4-chloro-N-[(1-methylcyclohexyl)methyl]benzamide
CID 114094949
4-amino-2-chloro-N-[(1-methylcyclopentyl)methyl]benzamide;hydrochloride
CID 119780555
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide
CID 119761185
3-amino-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081511
2-amino-6-methyl-N-[(1-methylcyclopentyl)methyl]benzamide
CID 63822358
N-[(1-methylcyclohexyl)methyl]-4-sulfamoylbenzamide
CID 103754265
3-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide
CID 81472478
5-amino-2-methoxy-N-[(1-methylcyclopentyl)methyl]benzamide
CID 55262165
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide;hydrochloride
CID 119761184

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-methylcyclohexyl)methyl]benzamide?
The IUPAC name of 3-amino-N-[(1-methylcyclohexyl)methyl]benzamide (CID 103813013) is 3-amino-N-[(1-methylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 3-amino-N-[(1-methylcyclohexyl)methyl]benzamide?
The canonical SMILES for 3-amino-N-[(1-methylcyclohexyl)methyl]benzamide is CC1(CNC(=O)c2cccc(N)c2)CCCCC1.
What is the InChIKey of 3-amino-N-[(1-methylcyclohexyl)methyl]benzamide?
The InChIKey is QAKRDEMJZGWRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(8-3-2-4-9-15)11-17-14(18)12-6-5-7-13(16)10-12/h5-7,10H,2-4,8-9,11,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-[(1-methylcyclohexyl)methyl]benzamide?
3-amino-N-[(1-methylcyclohexyl)methyl]benzamide has a molecular weight of 246.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-methylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 103813013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).