3-(cyclopentylamino)-5,5-dimethylcyclohex-2-en-1-one

C13H21NO — CID 66701411

IUPAC3-(cyclopentylamino)-5,5-dimethylcyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(NC2CCCC2)C1
InChIInChI=1S/C13H21NO/c1-13(2)8-11(7-12(15)9-13)14-10-5-3-4-6-10/h7,10,14H,3-6,8-9H2,1-2H3
InChIKeyIOAJWZXRPBGDDQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.79
Rot. Bonds2

About 3-(cyclopentylamino)-5,5-dimethylcyclohex-2-en-1-one

3-(cyclopentylamino)-5,5-dimethylcyclohex-2-en-1-one (PubChem CID 66701411) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(cyclopentylamino)-5,5-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(cyclopentylamino)-5,5-dimethylcyclohex-2-en-1-one
PubChem CID66701411
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-(cyclopentylamino)-5,5-dimethylcyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(NC2CCCC2)C1
InChIInChI=1S/C13H21NO/c1-13(2)8-11(7-12(15)9-13)14-10-5-3-4-6-10/h7,10,14H,3-6,8-9H2,1-2H3
InChIKeyIOAJWZXRPBGDDQ-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

5,5-Dimethyl-3-pyrrolidino-2-cyclohexen-1-one
CID 137903
3-(2-Hydroxyethylamino)-5,5-dimethyl-2-cyclohexen-1-one
CID 333140
5,5-Dimethyl-3-(n-propylamino)cyclohex-2-en-1-one
CID 143371
5,5-Dimethyl-3-(octylamino)cyclohex-2-en-1-one
CID 3448281
5,5-Dimethyl-3-(2-piperazin-1-yl-ethylamino)-cyclohex-2-enone
CID 777230
5,5-Dimethyl-3-((2,2,6,6-tetramethylpiperidin-4-yl)amino)cyclohex-2-enone
CID 777398
3-({8-[(5,5-Dimethyl-3-oxocyclohex-1-enyl)amino]octyl}amino)-5,5-dimethylcyclohex-2-en-1-one
CID 317103
5,5-Dimethyl-3-(methylamino)-2-cyclohexen-1-one
CID 136541
3-(Cycloheptylamino)-5,5-dimethylcyclohex-2-en-1-one
CID 2856644
3-(Cyclooctylamino)-5,5-dimethylcyclohex-2-en-1-one
CID 5110555
5,5-Dimethyl-3-piperazin-1-yl-cyclohex-2-enone
CID 648131
3-(Cyclohexylamino)-5,5-dimethylcyclohex-2-en-1-one
CID 137041

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)-5,5-dimethylcyclohex-2-en-1-one?
The IUPAC name of 3-(cyclopentylamino)-5,5-dimethylcyclohex-2-en-1-one (CID 66701411) is 3-(cyclopentylamino)-5,5-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(cyclopentylamino)-5,5-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 3-(cyclopentylamino)-5,5-dimethylcyclohex-2-en-1-one is CC1(C)CC(=O)C=C(NC2CCCC2)C1.
What is the InChIKey of 3-(cyclopentylamino)-5,5-dimethylcyclohex-2-en-1-one?
The InChIKey is IOAJWZXRPBGDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(2)8-11(7-12(15)9-13)14-10-5-3-4-6-10/h7,10,14H,3-6,8-9H2,1-2H3.
What are the key properties of 3-(cyclopentylamino)-5,5-dimethylcyclohex-2-en-1-one?
3-(cyclopentylamino)-5,5-dimethylcyclohex-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-(cyclopentylamino)-5,5-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 66701411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).