1-(cyclohexylamino)-4-propylcycloheptane-1-carboxamide

C17H32N2O — CID 65088965

IUPAC1-(cyclohexylamino)-4-propylcycloheptane-1-carboxamide
SMILESCCCC1CCCC(NC2CCCCC2)(C(N)=O)CC1
InChIInChI=1S/C17H32N2O/c1-2-7-14-8-6-12-17(13-11-14,16(18)20)19-15-9-4-3-5-10-15/h14-15,19H,2-13H2,1H3,(H2,18,20)
InChIKeyCIJQSUCBLWGRFY-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.51
Rot. Bonds5

About 1-(cyclohexylamino)-4-propylcycloheptane-1-carboxamide

1-(cyclohexylamino)-4-propylcycloheptane-1-carboxamide (PubChem CID 65088965) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(cyclohexylamino)-4-propylcycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylamino)-4-propylcycloheptane-1-carboxamide
PubChem CID65088965
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-(cyclohexylamino)-4-propylcycloheptane-1-carboxamide
SMILESCCCC1CCCC(NC2CCCCC2)(C(N)=O)CC1
InChIInChI=1S/C17H32N2O/c1-2-7-14-8-6-12-17(13-11-14,16(18)20)19-15-9-4-3-5-10-15/h14-15,19H,2-13H2,1H3,(H2,18,20)
InChIKeyCIJQSUCBLWGRFY-UHFFFAOYSA-N
XLogP3.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(methylamino)-4-propylcycloheptane-1-carboxamide
CID 65089354
1-(cyclohexylamino)-4-propan-2-ylcycloheptane-1-carboxamide
CID 65089013
1-(cyclopentylamino)cyclopropane-1-carboxamide
CID 103950092
1-(cycloheptylamino)-3-(2-methylpropyl)cyclohexane-1-carboxamide
CID 107429240
1-(cyclopentylamino)-4-methylcyclohexane-1-carboxamide
CID 61002718
1-(cyclopropylamino)cyclooctane-1-carboxamide
CID 60795922
1-(methylamino)-4-propylcycloheptane-1-carboxylic acid
CID 65088677
1-(cyclopropylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxamide
CID 79647898
1-(benzylamino)-4-propylcycloheptane-1-carboxamide
CID 65088717
N-[1-(aminomethyl)-4-propylcyclohexyl]cycloheptanamine
CID 65382362
1-(cycloheptylamino)-4-propylcycloheptane-1-carbonitrile
CID 65089014
1-(cycloheptylamino)-3,3-dimethylcyclopentane-1-carboxamide
CID 80706275

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylamino)-4-propylcycloheptane-1-carboxamide?
The IUPAC name of 1-(cyclohexylamino)-4-propylcycloheptane-1-carboxamide (CID 65088965) is 1-(cyclohexylamino)-4-propylcycloheptane-1-carboxamide.
What is the SMILES notation for 1-(cyclohexylamino)-4-propylcycloheptane-1-carboxamide?
The canonical SMILES for 1-(cyclohexylamino)-4-propylcycloheptane-1-carboxamide is CCCC1CCCC(NC2CCCCC2)(C(N)=O)CC1.
What is the InChIKey of 1-(cyclohexylamino)-4-propylcycloheptane-1-carboxamide?
The InChIKey is CIJQSUCBLWGRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-2-7-14-8-6-12-17(13-11-14,16(18)20)19-15-9-4-3-5-10-15/h14-15,19H,2-13H2,1H3,(H2,18,20).
What are the key properties of 1-(cyclohexylamino)-4-propylcycloheptane-1-carboxamide?
1-(cyclohexylamino)-4-propylcycloheptane-1-carboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylamino)-4-propylcycloheptane-1-carboxamide is sourced from PubChem (CID 65088965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).