4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)benzamide

C16H24N2O — CID 64740085

IUPAC4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)benzamide
SMILESCC1CCC(NC(=O)c2ccc(CN)cc2)CC1C
InChIInChI=1S/C16H24N2O/c1-11-3-8-15(9-12(11)2)18-16(19)14-6-4-13(10-17)5-7-14/h4-7,11-12,15H,3,8-10,17H2,1-2H3,(H,18,19)
InChIKeyCDQRNLZWGCUTER-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.70
Rot. Bonds3

About 4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)benzamide

4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)benzamide (PubChem CID 64740085) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)benzamide
PubChem CID64740085
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)benzamide
SMILESCC1CCC(NC(=O)c2ccc(CN)cc2)CC1C
InChIInChI=1S/C16H24N2O/c1-11-3-8-15(9-12(11)2)18-16(19)14-6-4-13(10-17)5-7-14/h4-7,11-12,15H,3,8-10,17H2,1-2H3,(H,18,19)
InChIKeyCDQRNLZWGCUTER-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(3,4-dimethylcyclohexyl)benzamide
CID 64738901
4-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103797799
3-[(3,4-dimethylcyclohexyl)carbamoyl]benzoic acid
CID 64742565
4-(aminomethyl)-N-[(3R,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]benzamide
CID 124693465
4-(aminomethyl)-N-piperidin-4-ylbenzamide
CID 110463043
N-(3,4-dimethylcyclohexyl)-3-iodobenzamide
CID 64743317
1-[3-(aminomethyl)phenyl]-3-(3,4-dimethylcyclohexyl)urea
CID 64743523
4-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)benzamide;dihydrochloride
CID 119900325
4-(aminomethyl)-N-[(2S)-1-[(3,4-dimethylcyclohexyl)amino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]benzamide
CID 54292113
ethyl 4-[[4-(aminomethyl)benzoyl]amino]cyclohexane-1-carboxylate;hydrochloride
CID 119297435
4-(aminomethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
CID 119892080
4-(aminomethyl)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzamide
CID 125152934

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)benzamide (CID 64740085) is 4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)benzamide is CC1CCC(NC(=O)c2ccc(CN)cc2)CC1C.
What is the InChIKey of 4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)benzamide?
The InChIKey is CDQRNLZWGCUTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-3-8-15(9-12(11)2)18-16(19)14-6-4-13(10-17)5-7-14/h4-7,11-12,15H,3,8-10,17H2,1-2H3,(H,18,19).
What are the key properties of 4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)benzamide?
4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)benzamide has a molecular weight of 260.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)benzamide is sourced from PubChem (CID 64740085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).