5-imidazol-1-ylhexan-3-amine

C9H17N3 — CID 122542899

IUPAC5-imidazol-1-ylhexan-3-amine
SMILESCCC(N)CC(C)n1ccnc1
InChIInChI=1S/C9H17N3/c1-3-9(10)6-8(2)12-5-4-11-7-12/h4-5,7-9H,3,6,10H2,1-2H3
InChIKeyQHKNBDYTAAFBIK-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.57
Rot. Bonds4

About 5-imidazol-1-ylhexan-3-amine

5-imidazol-1-ylhexan-3-amine (PubChem CID 122542899) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 5-imidazol-1-ylhexan-3-amine.

Molecular Properties

Compound Name5-imidazol-1-ylhexan-3-amine
PubChem CID122542899
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name5-imidazol-1-ylhexan-3-amine
SMILESCCC(N)CC(C)n1ccnc1
InChIInChI=1S/C9H17N3/c1-3-9(10)6-8(2)12-5-4-11-7-12/h4-5,7-9H,3,6,10H2,1-2H3
InChIKeyQHKNBDYTAAFBIK-UHFFFAOYSA-N
XLogP1.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-imidazol-1-ylhexan-3-amine 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-(3-ethylpentan-2-yl)imidazole
CID 174620112
1-(4,4-dimethylpentan-2-yl)imidazole
CID 118984043
1-butan-2-ylimidazole;methyl hydrogen carbonate
CID 174740697
2-imidazol-1-yl-N-propylpropan-1-amine
CID 62449251
fluoromethane;1-heptan-2-ylimidazole
CID 174715360
2-[3-(4-imidazol-1-ylhexan-2-yl)imidazol-1-ium-1-yl]ethanamine
CID 176846057
(3R)-3-imidazol-1-ylbutanoic acid
CID 683521
1-[(2S)-1-butoxypropan-2-yl]imidazole
CID 101426266
3-imidazol-1-ylbutanimidamide
CID 60914699
1-hexan-3-ylimidazole
CID 54145075
1-butan-2-ylimidazole;3-methylsulfanylpropanoic acid
CID 174844768
chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine);chloride
CID 163514694

Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-ylhexan-3-amine?
The IUPAC name of 5-imidazol-1-ylhexan-3-amine (CID 122542899) is 5-imidazol-1-ylhexan-3-amine.
What is the SMILES notation for 5-imidazol-1-ylhexan-3-amine?
The canonical SMILES for 5-imidazol-1-ylhexan-3-amine is CCC(N)CC(C)n1ccnc1.
What is the InChIKey of 5-imidazol-1-ylhexan-3-amine?
The InChIKey is QHKNBDYTAAFBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-9(10)6-8(2)12-5-4-11-7-12/h4-5,7-9H,3,6,10H2,1-2H3.
What are the key properties of 5-imidazol-1-ylhexan-3-amine?
5-imidazol-1-ylhexan-3-amine has a molecular weight of 167.26 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-ylhexan-3-amine is sourced from PubChem (CID 122542899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).