1-(cycloheptylamino)-3-(2-methylpropyl)cyclohexane-1-carboxamide

C18H34N2O — CID 107429240

IUPAC1-(cycloheptylamino)-3-(2-methylpropyl)cyclohexane-1-carboxamide
SMILESCC(C)CC1CCCC(NC2CCCCCC2)(C(N)=O)C1
InChIInChI=1S/C18H34N2O/c1-14(2)12-15-8-7-11-18(13-15,17(19)21)20-16-9-5-3-4-6-10-16/h14-16,20H,3-13H2,1-2H3,(H2,19,21)
InChIKeyXTHNPIMWXXFZJU-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.76
Rot. Bonds5

About 1-(cycloheptylamino)-3-(2-methylpropyl)cyclohexane-1-carboxamide

1-(cycloheptylamino)-3-(2-methylpropyl)cyclohexane-1-carboxamide (PubChem CID 107429240) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-(cycloheptylamino)-3-(2-methylpropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(cycloheptylamino)-3-(2-methylpropyl)cyclohexane-1-carboxamide
PubChem CID107429240
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name1-(cycloheptylamino)-3-(2-methylpropyl)cyclohexane-1-carboxamide
SMILESCC(C)CC1CCCC(NC2CCCCCC2)(C(N)=O)C1
InChIInChI=1S/C18H34N2O/c1-14(2)12-15-8-7-11-18(13-15,17(19)21)20-16-9-5-3-4-6-10-16/h14-16,20H,3-13H2,1-2H3,(H2,19,21)
InChIKeyXTHNPIMWXXFZJU-UHFFFAOYSA-N
XLogP3.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexylamino)-4-propan-2-ylcycloheptane-1-carboxamide
CID 65089013
1-(cyclohexylamino)-4-propylcycloheptane-1-carboxamide
CID 65088965
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-(cyclopropylamino)-3-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxamide
CID 79641404
1-(cyclopropylamino)-3-methylcyclopentane-1-carboxamide
CID 64513100
1-(cycloheptylamino)-3,3-dimethylcyclopentane-1-carboxamide
CID 80706275
1-(cycloheptylamino)-3-methoxycyclobutane-1-carboxamide
CID 106822494
3-(cyclohexylamino)thietane-3-carboxamide
CID 131124021
1-(cyclopropylamino)-3-piperidin-1-ylcyclohexane-1-carboxamide
CID 79636357

Frequently Asked Questions

What is the IUPAC name of 1-(cycloheptylamino)-3-(2-methylpropyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(cycloheptylamino)-3-(2-methylpropyl)cyclohexane-1-carboxamide (CID 107429240) is 1-(cycloheptylamino)-3-(2-methylpropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(cycloheptylamino)-3-(2-methylpropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(cycloheptylamino)-3-(2-methylpropyl)cyclohexane-1-carboxamide is CC(C)CC1CCCC(NC2CCCCCC2)(C(N)=O)C1.
What is the InChIKey of 1-(cycloheptylamino)-3-(2-methylpropyl)cyclohexane-1-carboxamide?
The InChIKey is XTHNPIMWXXFZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-14(2)12-15-8-7-11-18(13-15,17(19)21)20-16-9-5-3-4-6-10-16/h14-16,20H,3-13H2,1-2H3,(H2,19,21).
What are the key properties of 1-(cycloheptylamino)-3-(2-methylpropyl)cyclohexane-1-carboxamide?
1-(cycloheptylamino)-3-(2-methylpropyl)cyclohexane-1-carboxamide has a molecular weight of 294.48 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloheptylamino)-3-(2-methylpropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107429240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).