5-amino-N-cycloheptyl-2-methylcyclohexane-1-carboxamide

C15H28N2O — CID 62783163

IUPAC5-amino-N-cycloheptyl-2-methylcyclohexane-1-carboxamide
SMILESCC1CCC(N)CC1C(=O)NC1CCCCCC1
InChIInChI=1S/C15H28N2O/c1-11-8-9-12(16)10-14(11)15(18)17-13-6-4-2-3-5-7-13/h11-14H,2-10,16H2,1H3,(H,17,18)
InChIKeyQMMUKRAIEPOOCR-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.59
Rot. Bonds2

About 5-amino-N-cycloheptyl-2-methylcyclohexane-1-carboxamide

5-amino-N-cycloheptyl-2-methylcyclohexane-1-carboxamide (PubChem CID 62783163) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 5-amino-N-cycloheptyl-2-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-cycloheptyl-2-methylcyclohexane-1-carboxamide
PubChem CID62783163
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name5-amino-N-cycloheptyl-2-methylcyclohexane-1-carboxamide
SMILESCC1CCC(N)CC1C(=O)NC1CCCCCC1
InChIInChI=1S/C15H28N2O/c1-11-8-9-12(16)10-14(11)15(18)17-13-6-4-2-3-5-7-13/h11-14H,2-10,16H2,1H3,(H,17,18)
InChIKeyQMMUKRAIEPOOCR-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminocyclohexyl)-2-methylcyclopropane-1-carboxamide
CID 130816162
5-amino-N-(2,3-dimethylcyclohexyl)-2-methylcyclohexane-1-carboxamide
CID 62781644
1-N,2-N-dicyclohexylcyclopropane-1,2-dicarboxamide
CID 109132364
2-N-cycloheptyl-1-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132055
2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid
CID 4638930
2-amino-N-cyclooctylcyclohexane-1-carboxamide
CID 62775417
4-amino-2-methyl-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide
CID 62781647
N-(4-aminocyclohexyl)-2-cyclohexylcyclopropane-1-carboxamide
CID 119474847
methyl (1S,2R,5S)-5-amino-2-methylcyclohexane-1-carboxylate
CID 155905120
2-amino-N-cyclohexylcyclopentane-1-carboxamide
CID 64817156
2-amino-N-cyclopentylcyclohexane-1-carboxamide
CID 62777872
4-amino-N-(1-ethylpiperidin-3-yl)-2-methylcyclohexane-1-carboxamide
CID 62781409

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cycloheptyl-2-methylcyclohexane-1-carboxamide?
The IUPAC name of 5-amino-N-cycloheptyl-2-methylcyclohexane-1-carboxamide (CID 62783163) is 5-amino-N-cycloheptyl-2-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-N-cycloheptyl-2-methylcyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-N-cycloheptyl-2-methylcyclohexane-1-carboxamide is CC1CCC(N)CC1C(=O)NC1CCCCCC1.
What is the InChIKey of 5-amino-N-cycloheptyl-2-methylcyclohexane-1-carboxamide?
The InChIKey is QMMUKRAIEPOOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-11-8-9-12(16)10-14(11)15(18)17-13-6-4-2-3-5-7-13/h11-14H,2-10,16H2,1H3,(H,17,18).
What are the key properties of 5-amino-N-cycloheptyl-2-methylcyclohexane-1-carboxamide?
5-amino-N-cycloheptyl-2-methylcyclohexane-1-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cycloheptyl-2-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 62783163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).