1-(1-aminoimidazol-2-yl)hexan-1-one

C9H15N3O — CID 174269723

IUPAC1-(1-aminoimidazol-2-yl)hexan-1-one
SMILESCCCCCC(=O)c1nccn1N
InChIInChI=1S/C9H15N3O/c1-2-3-4-5-8(13)9-11-6-7-12(9)10/h6-7H,2-5,10H2,1H3
InChIKeyIIXMOUBXJAOLFJ-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.36
Rot. Bonds5

About 1-(1-aminoimidazol-2-yl)hexan-1-one

1-(1-aminoimidazol-2-yl)hexan-1-one (PubChem CID 174269723) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(1-aminoimidazol-2-yl)hexan-1-one.

Molecular Properties

Compound Name1-(1-aminoimidazol-2-yl)hexan-1-one
PubChem CID174269723
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(1-aminoimidazol-2-yl)hexan-1-one
SMILESCCCCCC(=O)c1nccn1N
InChIInChI=1S/C9H15N3O/c1-2-3-4-5-8(13)9-11-6-7-12(9)10/h6-7H,2-5,10H2,1H3
InChIKeyIIXMOUBXJAOLFJ-UHFFFAOYSA-N
XLogP1.36
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1-aminoimidazol-2-yl)hexan-1-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-propylimidazol-2-yl)heptan-1-one
CID 114972716
1-(1-propylimidazol-2-yl)pentan-1-one
CID 79404906
1-(2-ethyl-1,2,4-triazol-3-yl)heptan-1-one
CID 165348695
4-hydroxy-1-(1-propylimidazol-2-yl)butan-1-one
CID 106677480
1-(2-ethylpyrazol-3-yl)nonan-1-one
CID 114972411
2-undecylimidazol-1-amine
CID 19980062
4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
CID 116571399
5-amino-1-(1-methylimidazol-2-yl)hexan-1-one
CID 116610020
3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-one
CID 105100693
1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one
CID 116561163
1-(1-methylimidazol-2-yl)heptan-2-one
CID 115580314
1-pyridin-2-ylhexan-1-one
CID 556347

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoimidazol-2-yl)hexan-1-one?
The IUPAC name of 1-(1-aminoimidazol-2-yl)hexan-1-one (CID 174269723) is 1-(1-aminoimidazol-2-yl)hexan-1-one.
What is the SMILES notation for 1-(1-aminoimidazol-2-yl)hexan-1-one?
The canonical SMILES for 1-(1-aminoimidazol-2-yl)hexan-1-one is CCCCCC(=O)c1nccn1N.
What is the InChIKey of 1-(1-aminoimidazol-2-yl)hexan-1-one?
The InChIKey is IIXMOUBXJAOLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-3-4-5-8(13)9-11-6-7-12(9)10/h6-7H,2-5,10H2,1H3.
What are the key properties of 1-(1-aminoimidazol-2-yl)hexan-1-one?
1-(1-aminoimidazol-2-yl)hexan-1-one has a molecular weight of 181.24 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoimidazol-2-yl)hexan-1-one is sourced from PubChem (CID 174269723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).