1-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)cyclohexane-1-carboxamide

C16H21N3O2 — CID 107467865

IUPAC1-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1cccc(C#N)c1NC(=O)C1(CN)CCCCC1
InChIInChI=1S/C16H21N3O2/c1-21-13-7-5-6-12(10-17)14(13)19-15(20)16(11-18)8-3-2-4-9-16/h5-7H,2-4,8-9,11,18H2,1H3,(H,19,20)
InChIKeyTWVACJCNLNDMJT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.41
Rot. Bonds4

About 1-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)cyclohexane-1-carboxamide

1-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 107467865) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)cyclohexane-1-carboxamide
PubChem CID107467865
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1cccc(C#N)c1NC(=O)C1(CN)CCCCC1
InChIInChI=1S/C16H21N3O2/c1-21-13-7-5-6-12(10-17)14(13)19-15(20)16(11-18)8-3-2-4-9-16/h5-7H,2-4,8-9,11,18H2,1H3,(H,19,20)
InChIKeyTWVACJCNLNDMJT-UHFFFAOYSA-N
XLogP2.41
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)cyclohexane-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-cyano-N-(2-cyano-6-methoxyphenyl)cyclobutane-1-carboxamide
CID 107468358
1-(aminomethyl)-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide
CID 104848800
N-(2-cyano-6-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 107467735
2-(2-aminoethoxy)-N-(2-cyano-6-methoxyphenyl)acetamide
CID 107467856
N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 107467908
N-(2-cyano-6-methoxyphenyl)azepane-1-carboxamide
CID 107467260
3-amino-N-(2-cyano-6-methoxyphenyl)-2-methoxypropanamide
CID 106114168
1-[(2-cyano-6-methoxyphenyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 107468863
methyl 3-amino-2-(2-cyano-6-methoxyanilino)propanoate
CID 114242386
2-amino-N-(2-cyano-6-methoxyphenyl)cycloheptane-1-carboxamide
CID 107467741
1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)cycloheptane-1-carboxamide
CID 114839160
4-(chloromethyl)-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107467181

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)cyclohexane-1-carboxamide (CID 107467865) is 1-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)cyclohexane-1-carboxamide is COc1cccc(C#N)c1NC(=O)C1(CN)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is TWVACJCNLNDMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-21-13-7-5-6-12(10-17)14(13)19-15(20)16(11-18)8-3-2-4-9-16/h5-7H,2-4,8-9,11,18H2,1H3,(H,19,20).
What are the key properties of 1-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107467865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).