6-(1H-imidazol-5-yl)hexan-1-amine

C9H17N3 — CID 10261471

IUPAC6-(1H-imidazol-5-yl)hexan-1-amine
SMILESNCCCCCCc1cnc[nH]1
InChIInChI=1S/C9H17N3/c10-6-4-2-1-3-5-9-7-11-8-12-9/h7-8H,1-6,10H2,(H,11,12)
InChIKeyQDMPFGBUXBHFTH-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.47
Rot. Bonds6

About 6-(1H-imidazol-5-yl)hexan-1-amine

6-(1H-imidazol-5-yl)hexan-1-amine (PubChem CID 10261471) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 6-(1H-imidazol-5-yl)hexan-1-amine.

Molecular Properties

Compound Name6-(1H-imidazol-5-yl)hexan-1-amine
PubChem CID10261471
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name6-(1H-imidazol-5-yl)hexan-1-amine
SMILESNCCCCCCc1cnc[nH]1
InChIInChI=1S/C9H17N3/c10-6-4-2-1-3-5-9-7-11-8-12-9/h7-8H,1-6,10H2,(H,11,12)
InChIKeyQDMPFGBUXBHFTH-UHFFFAOYSA-N
XLogP1.47
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(1H-imidazol-5-yl)hexan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-5-yl)hexan-1-amine?
The IUPAC name of 6-(1H-imidazol-5-yl)hexan-1-amine (CID 10261471) is 6-(1H-imidazol-5-yl)hexan-1-amine.
What is the SMILES notation for 6-(1H-imidazol-5-yl)hexan-1-amine?
The canonical SMILES for 6-(1H-imidazol-5-yl)hexan-1-amine is NCCCCCCc1cnc[nH]1.
What is the InChIKey of 6-(1H-imidazol-5-yl)hexan-1-amine?
The InChIKey is QDMPFGBUXBHFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c10-6-4-2-1-3-5-9-7-11-8-12-9/h7-8H,1-6,10H2,(H,11,12).
What are the key properties of 6-(1H-imidazol-5-yl)hexan-1-amine?
6-(1H-imidazol-5-yl)hexan-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-imidazol-5-yl)hexan-1-amine is sourced from PubChem (CID 10261471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).