3-(hexylamino)cyclohex-2-en-1-one

C12H21NO — CID 137320218

IUPAC3-(hexylamino)cyclohex-2-en-1-one
SMILESCCCCCCNC1=CC(=O)CCC1
InChIInChI=1S/C12H21NO/c1-2-3-4-5-9-13-11-7-6-8-12(14)10-11/h10,13H,2-9H2,1H3
InChIKeyCNNGJAVPQKYZIG-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.79
Rot. Bonds6

About 3-(hexylamino)cyclohex-2-en-1-one

3-(hexylamino)cyclohex-2-en-1-one (PubChem CID 137320218) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(hexylamino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(hexylamino)cyclohex-2-en-1-one
PubChem CID137320218
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-(hexylamino)cyclohex-2-en-1-one
SMILESCCCCCCNC1=CC(=O)CCC1
InChIInChI=1S/C12H21NO/c1-2-3-4-5-9-13-11-7-6-8-12(14)10-11/h10,13H,2-9H2,1H3
InChIKeyCNNGJAVPQKYZIG-UHFFFAOYSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(decylamino)cyclopent-2-en-1-one
CID 113453186
N-(3-oxocyclohexen-1-yl)octanamide
CID 53239922
1-butyl-3-(3-oxocyclohexen-1-yl)urea
CID 154390223
3-nonadecylcyclohex-2-en-1-one
CID 71332898
3-[4-(dimethylamino)butylamino]cyclopent-2-en-1-one
CID 104788444
3-(4-pentoxyanilino)cyclohex-2-en-1-one
CID 3252186
3-(2-oxopropylamino)cyclohex-2-en-1-one
CID 86092292
3-(5,5,5-trifluoropentylamino)cyclopent-2-en-1-one
CID 104788656
3-dodecylcyclohept-2-en-1-one
CID 107382706
(1E)-N-butylcycloocten-1-amine
CID 89153703
(3-oxocyclohexen-1-yl) nonanoate
CID 91181212
2-(docosylamino)cyclohexa-2,5-diene-1,4-dione
CID 146453650

Frequently Asked Questions

What is the IUPAC name of 3-(hexylamino)cyclohex-2-en-1-one?
The IUPAC name of 3-(hexylamino)cyclohex-2-en-1-one (CID 137320218) is 3-(hexylamino)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(hexylamino)cyclohex-2-en-1-one?
The canonical SMILES for 3-(hexylamino)cyclohex-2-en-1-one is CCCCCCNC1=CC(=O)CCC1.
What is the InChIKey of 3-(hexylamino)cyclohex-2-en-1-one?
The InChIKey is CNNGJAVPQKYZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-3-4-5-9-13-11-7-6-8-12(14)10-11/h10,13H,2-9H2,1H3.
What are the key properties of 3-(hexylamino)cyclohex-2-en-1-one?
3-(hexylamino)cyclohex-2-en-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hexylamino)cyclohex-2-en-1-one is sourced from PubChem (CID 137320218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).