6-cyclopentyl-N,N,5-trimethylcycloheptene-1-carboxamide

C16H27NO — CID 123767669

IUPAC6-cyclopentyl-N,N,5-trimethylcycloheptene-1-carboxamide
SMILESCC1CCC=C(C(=O)N(C)C)CC1C1CCCC1
InChIInChI=1S/C16H27NO/c1-12-7-6-10-14(16(18)17(2)3)11-15(12)13-8-4-5-9-13/h10,12-13,15H,4-9,11H2,1-3H3
InChIKeyCVGOUADIZVMLSE-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.63
Rot. Bonds2

About 6-cyclopentyl-N,N,5-trimethylcycloheptene-1-carboxamide

6-cyclopentyl-N,N,5-trimethylcycloheptene-1-carboxamide (PubChem CID 123767669) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 6-cyclopentyl-N,N,5-trimethylcycloheptene-1-carboxamide.

Molecular Properties

Compound Name6-cyclopentyl-N,N,5-trimethylcycloheptene-1-carboxamide
PubChem CID123767669
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name6-cyclopentyl-N,N,5-trimethylcycloheptene-1-carboxamide
SMILESCC1CCC=C(C(=O)N(C)C)CC1C1CCCC1
InChIInChI=1S/C16H27NO/c1-12-7-6-10-14(16(18)17(2)3)11-15(12)13-8-4-5-9-13/h10,12-13,15H,4-9,11H2,1-3H3
InChIKeyCVGOUADIZVMLSE-UHFFFAOYSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethylcyclohexene-1-carboxamide
CID 11019067
1-(5-methylcyclohexen-1-yl)propan-1-one
CID 130029995
5-methylbicyclo[4.2.1]non-1-en-7-ol
CID 163789107
2-methylbicyclo[5.2.0]nonane
CID 90842882
(1R,3aS,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 12701541
(1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 6427449
(3aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 134864690
1-cyclobutyl-2-methylcyclohexane
CID 146763407
(1R,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 59207141
(2S)-1-cyclopentyl-2-methylcyclopentane
CID 140885757
pentakis(1-cyclopentyl-2-methylcyclopentane);methane
CID 162268906
cis-(1S,2R)-2-cyclohexylcyclopropane-1-carboxylic acid
CID 12992914

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-N,N,5-trimethylcycloheptene-1-carboxamide?
The IUPAC name of 6-cyclopentyl-N,N,5-trimethylcycloheptene-1-carboxamide (CID 123767669) is 6-cyclopentyl-N,N,5-trimethylcycloheptene-1-carboxamide.
What is the SMILES notation for 6-cyclopentyl-N,N,5-trimethylcycloheptene-1-carboxamide?
The canonical SMILES for 6-cyclopentyl-N,N,5-trimethylcycloheptene-1-carboxamide is CC1CCC=C(C(=O)N(C)C)CC1C1CCCC1.
What is the InChIKey of 6-cyclopentyl-N,N,5-trimethylcycloheptene-1-carboxamide?
The InChIKey is CVGOUADIZVMLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-12-7-6-10-14(16(18)17(2)3)11-15(12)13-8-4-5-9-13/h10,12-13,15H,4-9,11H2,1-3H3.
What are the key properties of 6-cyclopentyl-N,N,5-trimethylcycloheptene-1-carboxamide?
6-cyclopentyl-N,N,5-trimethylcycloheptene-1-carboxamide has a molecular weight of 249.40 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-N,N,5-trimethylcycloheptene-1-carboxamide is sourced from PubChem (CID 123767669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).