1-(aminomethyl)-N-(4-cyanophenyl)-N,4-dimethylcyclohexane-1-carboxamide

C17H23N3O — CID 115442115

IUPAC1-(aminomethyl)-N-(4-cyanophenyl)-N,4-dimethylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)N(C)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C17H23N3O/c1-13-7-9-17(12-19,10-8-13)16(21)20(2)15-5-3-14(11-18)4-6-15/h3-6,13H,7-10,12,19H2,1-2H3
InChIKeyNFZJTAQWDOKVIY-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.68
Rot. Bonds3

About 1-(aminomethyl)-N-(4-cyanophenyl)-N,4-dimethylcyclohexane-1-carboxamide

1-(aminomethyl)-N-(4-cyanophenyl)-N,4-dimethylcyclohexane-1-carboxamide (PubChem CID 115442115) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4-cyanophenyl)-N,4-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4-cyanophenyl)-N,4-dimethylcyclohexane-1-carboxamide
PubChem CID115442115
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(aminomethyl)-N-(4-cyanophenyl)-N,4-dimethylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)N(C)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C17H23N3O/c1-13-7-9-17(12-19,10-8-13)16(21)20(2)15-5-3-14(11-18)4-6-15/h3-6,13H,7-10,12,19H2,1-2H3
InChIKeyNFZJTAQWDOKVIY-UHFFFAOYSA-N
XLogP2.68
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(4-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 115441362
1-amino-N-(4-cyanophenyl)-N-methylcyclopropane-1-carboxamide
CID 65464094
1-(aminomethyl)-N-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 115182580
1-amino-N-(4-cyanophenyl)-N-methylcyclopentane-1-carboxamide
CID 55141779
4-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]benzoic acid
CID 104698752
1-(aminomethyl)-N-(3-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 115441349
1-(aminomethyl)-N-[4-(dimethylamino)phenyl]-4-methylcyclohexane-1-carboxamide
CID 115441564
1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N,4-dimethylcyclohexane-1-carboxamide
CID 115441678
N-(4-cyanophenyl)-2-cyclopentyl-N-methylacetamide
CID 55141963
4-(aminomethyl)-N-(4-tert-butylphenyl)-N-methyloxane-4-carboxamide
CID 120927474
1-(aminomethyl)-N-cyclopropyl-N-ethyl-4-methylcyclohexane-1-carboxamide
CID 115441467
4-(aminomethyl)-N-methyl-N-phenyloxane-4-carboxamide;hydrochloride
CID 120916942

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4-cyanophenyl)-N,4-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(4-cyanophenyl)-N,4-dimethylcyclohexane-1-carboxamide (CID 115442115) is 1-(aminomethyl)-N-(4-cyanophenyl)-N,4-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(4-cyanophenyl)-N,4-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(4-cyanophenyl)-N,4-dimethylcyclohexane-1-carboxamide is CC1CCC(CN)(C(=O)N(C)c2ccc(C#N)cc2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(4-cyanophenyl)-N,4-dimethylcyclohexane-1-carboxamide?
The InChIKey is NFZJTAQWDOKVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-7-9-17(12-19,10-8-13)16(21)20(2)15-5-3-14(11-18)4-6-15/h3-6,13H,7-10,12,19H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(4-cyanophenyl)-N,4-dimethylcyclohexane-1-carboxamide?
1-(aminomethyl)-N-(4-cyanophenyl)-N,4-dimethylcyclohexane-1-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(4-cyanophenyl)-N,4-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 115442115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).