3-[(2,2-dimethylcyclohexyl)amino]cyclopent-2-en-1-one

C13H21NO — CID 104788621

IUPAC3-[(2,2-dimethylcyclohexyl)amino]cyclopent-2-en-1-one
SMILESCC1(C)CCCCC1NC1=CC(=O)CC1
InChIInChI=1S/C13H21NO/c1-13(2)8-4-3-5-12(13)14-10-6-7-11(15)9-10/h9,12,14H,3-8H2,1-2H3
InChIKeyFZAYTGZUXOVUOU-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.79
Rot. Bonds2

About 3-[(2,2-dimethylcyclohexyl)amino]cyclopent-2-en-1-one

3-[(2,2-dimethylcyclohexyl)amino]cyclopent-2-en-1-one (PubChem CID 104788621) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-[(2,2-dimethylcyclohexyl)amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(2,2-dimethylcyclohexyl)amino]cyclopent-2-en-1-one
PubChem CID104788621
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-[(2,2-dimethylcyclohexyl)amino]cyclopent-2-en-1-one
SMILESCC1(C)CCCCC1NC1=CC(=O)CC1
InChIInChI=1S/C13H21NO/c1-13(2)8-4-3-5-12(13)14-10-6-7-11(15)9-10/h9,12,14H,3-8H2,1-2H3
InChIKeyFZAYTGZUXOVUOU-UHFFFAOYSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopent-2-en-1-one
CID 114630237
N-(2,2-dimethylcyclohexyl)-4-fluoroaniline
CID 79828345
4,6-dichloro-N-(2,2-dimethylcyclohexyl)-1,3,5-triazin-2-amine
CID 79873127
5-[(2,2-dimethylcyclohexyl)amino]-1-methylpyridin-2-one
CID 79835157
4-[(2,2-dimethylcyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136976362
3-[(2-methylcyclopentyl)amino]cyclopent-2-en-1-one
CID 104788503
3-N-(2,2-dimethylcyclohexyl)pyrazine-2,3-diamine
CID 103753764
N-(2,2-dimethylcyclohexyl)-4-methoxy-3-methylaniline
CID 79834976
6-chloro-4-N-(2,2-dimethylcyclohexyl)pyrimidine-4,5-diamine
CID 79862142
6-chloro-2-N-(2,2-dimethylcyclohexyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80849953
6-chloro-N-(2,2-dimethylcyclohexyl)-4-nitropyridin-2-amine
CID 114070861
2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carboxylic acid
CID 79878433

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylcyclohexyl)amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[(2,2-dimethylcyclohexyl)amino]cyclopent-2-en-1-one (CID 104788621) is 3-[(2,2-dimethylcyclohexyl)amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(2,2-dimethylcyclohexyl)amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[(2,2-dimethylcyclohexyl)amino]cyclopent-2-en-1-one is CC1(C)CCCCC1NC1=CC(=O)CC1.
What is the InChIKey of 3-[(2,2-dimethylcyclohexyl)amino]cyclopent-2-en-1-one?
The InChIKey is FZAYTGZUXOVUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(2)8-4-3-5-12(13)14-10-6-7-11(15)9-10/h9,12,14H,3-8H2,1-2H3.
What are the key properties of 3-[(2,2-dimethylcyclohexyl)amino]cyclopent-2-en-1-one?
3-[(2,2-dimethylcyclohexyl)amino]cyclopent-2-en-1-one has a molecular weight of 207.32 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylcyclohexyl)amino]cyclopent-2-en-1-one is sourced from PubChem (CID 104788621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).