1-(aminomethyl)-N-[4-(dimethylamino)phenyl]-4-methylcyclohexane-1-carboxamide

C17H27N3O — CID 115441564

IUPAC1-(aminomethyl)-N-[4-(dimethylamino)phenyl]-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)Nc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C17H27N3O/c1-13-8-10-17(12-18,11-9-13)16(21)19-14-4-6-15(7-5-14)20(2)3/h4-7,13H,8-12,18H2,1-3H3,(H,19,21)
InChIKeyPXSCDECPASYEAH-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.85
Rot. Bonds4

About 1-(aminomethyl)-N-[4-(dimethylamino)phenyl]-4-methylcyclohexane-1-carboxamide

1-(aminomethyl)-N-[4-(dimethylamino)phenyl]-4-methylcyclohexane-1-carboxamide (PubChem CID 115441564) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[4-(dimethylamino)phenyl]-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[4-(dimethylamino)phenyl]-4-methylcyclohexane-1-carboxamide
PubChem CID115441564
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-(aminomethyl)-N-[4-(dimethylamino)phenyl]-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)Nc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C17H27N3O/c1-13-8-10-17(12-18,11-9-13)16(21)19-14-4-6-15(7-5-14)20(2)3/h4-7,13H,8-12,18H2,1-3H3,(H,19,21)
InChIKeyPXSCDECPASYEAH-UHFFFAOYSA-N
XLogP2.85
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-(aminomethyl)-N-[4-(dimethylamino)phenyl]-4-methylcyclohexane-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

Related Compounds

1-(aminomethyl)-N-(4-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 115441362
1-(aminomethyl)-4-methyl-N-thiophen-3-ylcyclohexane-1-carboxamide
CID 113310541
1-(aminomethyl)-N-(3,5-difluorophenyl)-4-methylcyclohexane-1-carboxamide
CID 115441375
1-amino-N-[4-(dimethylamino)phenyl]-3-methylcyclohexane-1-carboxamide
CID 64550871
2-bromo-N-[4-(dimethylamino)phenyl]-1-methylcyclopropane-1-carboxamide
CID 70609542
1-(aminomethyl)-N-(3-fluoro-5-methylphenyl)-4-methylcyclohexane-1-carboxamide
CID 115442356
1-(aminomethyl)-4-methyl-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 115441440
1-(aminomethyl)-N-(3-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 115441349
4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide
CID 115447532
1-(aminomethyl)-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 113310422
1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide
CID 115448437
1-carbamothioyl-N-[4-(dimethylamino)phenyl]-3-methylcyclobutane-1-carboxamide
CID 80589868

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[4-(dimethylamino)phenyl]-4-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[4-(dimethylamino)phenyl]-4-methylcyclohexane-1-carboxamide (CID 115441564) is 1-(aminomethyl)-N-[4-(dimethylamino)phenyl]-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[4-(dimethylamino)phenyl]-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[4-(dimethylamino)phenyl]-4-methylcyclohexane-1-carboxamide is CC1CCC(CN)(C(=O)Nc2ccc(N(C)C)cc2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[4-(dimethylamino)phenyl]-4-methylcyclohexane-1-carboxamide?
The InChIKey is PXSCDECPASYEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-8-10-17(12-18,11-9-13)16(21)19-14-4-6-15(7-5-14)20(2)3/h4-7,13H,8-12,18H2,1-3H3,(H,19,21).
What are the key properties of 1-(aminomethyl)-N-[4-(dimethylamino)phenyl]-4-methylcyclohexane-1-carboxamide?
1-(aminomethyl)-N-[4-(dimethylamino)phenyl]-4-methylcyclohexane-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[4-(dimethylamino)phenyl]-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115441564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).