1-(cyclohexylamino)-4-propan-2-ylcycloheptane-1-carboxamide

C17H32N2O — CID 65089013

IUPAC1-(cyclohexylamino)-4-propan-2-ylcycloheptane-1-carboxamide
SMILESCC(C)C1CCCC(NC2CCCCC2)(C(N)=O)CC1
InChIInChI=1S/C17H32N2O/c1-13(2)14-7-6-11-17(12-10-14,16(18)20)19-15-8-4-3-5-9-15/h13-15,19H,3-12H2,1-2H3,(H2,18,20)
InChIKeyHLDCORJUOGPZAD-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.37
Rot. Bonds4

About 1-(cyclohexylamino)-4-propan-2-ylcycloheptane-1-carboxamide

1-(cyclohexylamino)-4-propan-2-ylcycloheptane-1-carboxamide (PubChem CID 65089013) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(cyclohexylamino)-4-propan-2-ylcycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylamino)-4-propan-2-ylcycloheptane-1-carboxamide
PubChem CID65089013
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-(cyclohexylamino)-4-propan-2-ylcycloheptane-1-carboxamide
SMILESCC(C)C1CCCC(NC2CCCCC2)(C(N)=O)CC1
InChIInChI=1S/C17H32N2O/c1-13(2)14-7-6-11-17(12-10-14,16(18)20)19-15-8-4-3-5-9-15/h13-15,19H,3-12H2,1-2H3,(H2,18,20)
InChIKeyHLDCORJUOGPZAD-UHFFFAOYSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cycloheptylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 63449213
1-(cyclopentylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 62704491
1-(cyclopentylamino)cyclopropane-1-carboxamide
CID 103950092
1-(cyclopentylamino)-4-methylcyclohexane-1-carboxamide
CID 61002718
1-(cyclopropylamino)cyclooctane-1-carboxamide
CID 60795922
4-(cyclohexylamino)-1-propan-2-ylazepane-4-carboxamide
CID 65075797
1-(cyclohexylamino)-4-propylcycloheptane-1-carboxamide
CID 65088965
4-propan-2-yl-1-(propylamino)cycloheptane-1-carboxamide
CID 65088722
1-(cycloheptylamino)-3-(2-methylpropyl)cyclohexane-1-carboxamide
CID 107429240
1-(cycloheptylamino)-3,3-dimethylcyclopentane-1-carboxamide
CID 80706275
3-(cyclohexylamino)thietane-3-carboxamide
CID 131124021
3-(cycloheptylamino)azetidine-3-carboxamide
CID 79307545

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylamino)-4-propan-2-ylcycloheptane-1-carboxamide?
The IUPAC name of 1-(cyclohexylamino)-4-propan-2-ylcycloheptane-1-carboxamide (CID 65089013) is 1-(cyclohexylamino)-4-propan-2-ylcycloheptane-1-carboxamide.
What is the SMILES notation for 1-(cyclohexylamino)-4-propan-2-ylcycloheptane-1-carboxamide?
The canonical SMILES for 1-(cyclohexylamino)-4-propan-2-ylcycloheptane-1-carboxamide is CC(C)C1CCCC(NC2CCCCC2)(C(N)=O)CC1.
What is the InChIKey of 1-(cyclohexylamino)-4-propan-2-ylcycloheptane-1-carboxamide?
The InChIKey is HLDCORJUOGPZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-13(2)14-7-6-11-17(12-10-14,16(18)20)19-15-8-4-3-5-9-15/h13-15,19H,3-12H2,1-2H3,(H2,18,20).
What are the key properties of 1-(cyclohexylamino)-4-propan-2-ylcycloheptane-1-carboxamide?
1-(cyclohexylamino)-4-propan-2-ylcycloheptane-1-carboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylamino)-4-propan-2-ylcycloheptane-1-carboxamide is sourced from PubChem (CID 65089013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).