1-(1-aminocyclohexyl)hept-6-en-2-one

C13H23NO — CID 116579053

IUPAC1-(1-aminocyclohexyl)hept-6-en-2-one
SMILESC=CCCCC(=O)CC1(N)CCCCC1
InChIInChI=1S/C13H23NO/c1-2-3-5-8-12(15)11-13(14)9-6-4-7-10-13/h2H,1,3-11,14H2
InChIKeyUIUWLEUVFYACIJ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.96
Rot. Bonds6

About 1-(1-aminocyclohexyl)hept-6-en-2-one

1-(1-aminocyclohexyl)hept-6-en-2-one (PubChem CID 116579053) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)hept-6-en-2-one.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)hept-6-en-2-one
PubChem CID116579053
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(1-aminocyclohexyl)hept-6-en-2-one
SMILESC=CCCCC(=O)CC1(N)CCCCC1
InChIInChI=1S/C13H23NO/c1-2-3-5-8-12(15)11-13(14)9-6-4-7-10-13/h2H,1,3-11,14H2
InChIKeyUIUWLEUVFYACIJ-UHFFFAOYSA-N
XLogP2.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-aminocyclohexyl)hept-6-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-aminocyclohexyl)non-8-en-2-one
CID 107010892
1-(1-aminocyclopentyl)pent-4-en-2-one
CID 116578589
1-(1-aminocyclohexyl)-6-methylheptan-2-one
CID 116579027
1-(1-aminocyclohexyl)-5-methylsulfonylpentan-2-one
CID 116578935
1-(1-hydroxycycloheptyl)hex-5-en-1-one
CID 103450126
1-(1-aminocyclopentyl)-6-methylheptan-2-one
CID 116578739
1-(1-aminocyclohexyl)-5,5,5-trifluoropentan-2-one
CID 116579119
1-(1-aminocyclopropyl)pent-4-en-2-one
CID 130796920
1-(1-aminocyclobutyl)-5-phenylpentan-2-one
CID 116591176
1-(1-hydroxycycloheptyl)pent-4-en-1-one
CID 103450362
12-aminododec-1-en-6-one
CID 116551538
1-(1-aminocyclohexyl)-3-cyclobutylpropan-2-one
CID 116578936

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)hept-6-en-2-one?
The IUPAC name of 1-(1-aminocyclohexyl)hept-6-en-2-one (CID 116579053) is 1-(1-aminocyclohexyl)hept-6-en-2-one.
What is the SMILES notation for 1-(1-aminocyclohexyl)hept-6-en-2-one?
The canonical SMILES for 1-(1-aminocyclohexyl)hept-6-en-2-one is C=CCCCC(=O)CC1(N)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexyl)hept-6-en-2-one?
The InChIKey is UIUWLEUVFYACIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-3-5-8-12(15)11-13(14)9-6-4-7-10-13/h2H,1,3-11,14H2.
What are the key properties of 1-(1-aminocyclohexyl)hept-6-en-2-one?
1-(1-aminocyclohexyl)hept-6-en-2-one has a molecular weight of 209.33 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)hept-6-en-2-one is sourced from PubChem (CID 116579053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).