1-(aminomethyl)-N-(3,5-dimethylcyclohexyl)cycloheptane-1-carboxamide

C17H32N2O — CID 64732102

IUPAC1-(aminomethyl)-N-(3,5-dimethylcyclohexyl)cycloheptane-1-carboxamide
SMILESCC1CC(C)CC(NC(=O)C2(CN)CCCCCC2)C1
InChIInChI=1S/C17H32N2O/c1-13-9-14(2)11-15(10-13)19-16(20)17(12-18)7-5-3-4-6-8-17/h13-15H,3-12,18H2,1-2H3,(H,19,20)
InChIKeyXWYMGSBFKSHERB-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.23
Rot. Bonds3

About 1-(aminomethyl)-N-(3,5-dimethylcyclohexyl)cycloheptane-1-carboxamide

1-(aminomethyl)-N-(3,5-dimethylcyclohexyl)cycloheptane-1-carboxamide (PubChem CID 64732102) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3,5-dimethylcyclohexyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3,5-dimethylcyclohexyl)cycloheptane-1-carboxamide
PubChem CID64732102
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-(aminomethyl)-N-(3,5-dimethylcyclohexyl)cycloheptane-1-carboxamide
SMILESCC1CC(C)CC(NC(=O)C2(CN)CCCCCC2)C1
InChIInChI=1S/C17H32N2O/c1-13-9-14(2)11-15(10-13)19-16(20)17(12-18)7-5-3-4-6-8-17/h13-15H,3-12,18H2,1-2H3,(H,19,20)
InChIKeyXWYMGSBFKSHERB-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(3-methylcyclopentyl)cyclobutane-1-carboxamide
CID 114545052
1-(aminomethyl)-N-(2,4-dimethylcyclohexyl)cyclohexane-1-carboxamide
CID 63996093
1-(aminomethyl)-N-(3-hydroxycyclohexyl)cycloheptane-1-carboxamide
CID 115443799
1-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide
CID 114123111
(3,5-dimethylcyclohexyl) 1-(aminomethyl)cycloheptane-1-carboxylate
CID 115444649
1-amino-N-(3,5-dimethylcyclohexyl)cyclopropane-1-carboxamide
CID 65458422
1-(aminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119819128
N-(2-adamantyl)-1-(aminomethyl)cyclohexane-1-carboxamide
CID 115437394
1-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide
CID 115437435
1-(aminomethyl)-N-[(3-methylcyclopentyl)methyl]cycloheptane-1-carboxamide
CID 107412357
1-(aminomethyl)-N-(2-methyloxolan-3-yl)cyclohexane-1-carboxamide
CID 82726373
1-(aminomethyl)-N-[(2-methylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 115738374

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3,5-dimethylcyclohexyl)cycloheptane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(3,5-dimethylcyclohexyl)cycloheptane-1-carboxamide (CID 64732102) is 1-(aminomethyl)-N-(3,5-dimethylcyclohexyl)cycloheptane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(3,5-dimethylcyclohexyl)cycloheptane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(3,5-dimethylcyclohexyl)cycloheptane-1-carboxamide is CC1CC(C)CC(NC(=O)C2(CN)CCCCCC2)C1.
What is the InChIKey of 1-(aminomethyl)-N-(3,5-dimethylcyclohexyl)cycloheptane-1-carboxamide?
The InChIKey is XWYMGSBFKSHERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-13-9-14(2)11-15(10-13)19-16(20)17(12-18)7-5-3-4-6-8-17/h13-15H,3-12,18H2,1-2H3,(H,19,20).
What are the key properties of 1-(aminomethyl)-N-(3,5-dimethylcyclohexyl)cycloheptane-1-carboxamide?
1-(aminomethyl)-N-(3,5-dimethylcyclohexyl)cycloheptane-1-carboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3,5-dimethylcyclohexyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 64732102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).