3-amino-1-cyclohexylhex-5-en-2-one

C12H21NO — CID 116606979

IUPAC3-amino-1-cyclohexylhex-5-en-2-one
SMILESC=CCC(N)C(=O)CC1CCCCC1
InChIInChI=1S/C12H21NO/c1-2-6-11(13)12(14)9-10-7-4-3-5-8-10/h2,10-11H,1,3-9,13H2
InChIKeyAZUBRBNKFSIYOS-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.43
Rot. Bonds5

About 3-amino-1-cyclohexylhex-5-en-2-one

3-amino-1-cyclohexylhex-5-en-2-one (PubChem CID 116606979) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-amino-1-cyclohexylhex-5-en-2-one.

Molecular Properties

Compound Name3-amino-1-cyclohexylhex-5-en-2-one
PubChem CID116606979
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-amino-1-cyclohexylhex-5-en-2-one
SMILESC=CCC(N)C(=O)CC1CCCCC1
InChIInChI=1S/C12H21NO/c1-2-6-11(13)12(14)9-10-7-4-3-5-8-10/h2,10-11H,1,3-9,13H2
InChIKeyAZUBRBNKFSIYOS-UHFFFAOYSA-N
XLogP2.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 174929503
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CID 149468421
(3R)-3-amino-1-cyclohexyl-4-methylpentan-2-one
CID 58418389
2-amino-1-(3-ethylcyclohexyl)pent-4-en-1-one
CID 116606831
1-cyclohexylpent-4-en-2-ol
CID 13166988
3-amino-1-(1-cyclohexylpyrazol-3-yl)hex-5-en-2-one
CID 116607065
dimethyl 2-(cyclohexylmethyl)-4-prop-2-enylpentanedioate
CID 11098495
3-amino-4-cyclohexylbutan-2-one
CID 20668322
1-cyclohexyl-3-ethylpentan-2-one
CID 114967631
1-cyclopentyl-3-hydroxypentan-2-one
CID 103452923
(2R)-2-amino-3-cyclohexyl-N-methylidenepropanamide
CID 166777668
2-cyclodecylacetamide
CID 150110792

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclohexylhex-5-en-2-one?
The IUPAC name of 3-amino-1-cyclohexylhex-5-en-2-one (CID 116606979) is 3-amino-1-cyclohexylhex-5-en-2-one.
What is the SMILES notation for 3-amino-1-cyclohexylhex-5-en-2-one?
The canonical SMILES for 3-amino-1-cyclohexylhex-5-en-2-one is C=CCC(N)C(=O)CC1CCCCC1.
What is the InChIKey of 3-amino-1-cyclohexylhex-5-en-2-one?
The InChIKey is AZUBRBNKFSIYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-6-11(13)12(14)9-10-7-4-3-5-8-10/h2,10-11H,1,3-9,13H2.
What are the key properties of 3-amino-1-cyclohexylhex-5-en-2-one?
3-amino-1-cyclohexylhex-5-en-2-one has a molecular weight of 195.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclohexylhex-5-en-2-one is sourced from PubChem (CID 116606979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).