N-butyl-1-hexylimidazol-2-amine

C13H25N3 — CID 106573794

IUPACN-butyl-1-hexylimidazol-2-amine
SMILESCCCCCCn1ccnc1NCCCC
InChIInChI=1S/C13H25N3/c1-3-5-7-8-11-16-12-10-15-13(16)14-9-6-4-2/h10,12H,3-9,11H2,1-2H3,(H,14,15)
InChIKeyWSMAFSABFHICJB-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.68
Rot. Bonds9

About N-butyl-1-hexylimidazol-2-amine

N-butyl-1-hexylimidazol-2-amine (PubChem CID 106573794) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-butyl-1-hexylimidazol-2-amine.

Molecular Properties

Compound NameN-butyl-1-hexylimidazol-2-amine
PubChem CID106573794
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-butyl-1-hexylimidazol-2-amine
SMILESCCCCCCn1ccnc1NCCCC
InChIInChI=1S/C13H25N3/c1-3-5-7-8-11-16-12-10-15-13(16)14-9-6-4-2/h10,12H,3-9,11H2,1-2H3,(H,14,15)
InChIKeyWSMAFSABFHICJB-UHFFFAOYSA-N
XLogP3.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-1-hexylimidazol-2-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

N-hexyl-1-propylimidazol-2-amine
CID 106573792
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
1-ethyl-N-octylimidazol-2-amine
CID 115568972
1-dodecyl-N-methylimidazol-2-amine
CID 57016020
N-butyl-1-[2-[di(propan-2-yl)amino]ethyl]imidazol-2-amine
CID 106555556
1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine
CID 106581195
1-butyl-N-(2-pyrazol-1-ylethyl)imidazol-2-amine
CID 106568584
1-[4-(dimethylamino)butyl]-N-propylimidazol-2-amine
CID 106565580
1-butyl-N-(2-ethoxyethyl)imidazol-2-amine
CID 106554086
N-cyclopropyl-1-pentylimidazol-2-amine
CID 106556933
N-butyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574296
1-pentyl-N-propan-2-ylimidazol-2-amine
CID 106556908

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-hexylimidazol-2-amine?
The IUPAC name of N-butyl-1-hexylimidazol-2-amine (CID 106573794) is N-butyl-1-hexylimidazol-2-amine.
What is the SMILES notation for N-butyl-1-hexylimidazol-2-amine?
The canonical SMILES for N-butyl-1-hexylimidazol-2-amine is CCCCCCn1ccnc1NCCCC.
What is the InChIKey of N-butyl-1-hexylimidazol-2-amine?
The InChIKey is WSMAFSABFHICJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-3-5-7-8-11-16-12-10-15-13(16)14-9-6-4-2/h10,12H,3-9,11H2,1-2H3,(H,14,15).
What are the key properties of N-butyl-1-hexylimidazol-2-amine?
N-butyl-1-hexylimidazol-2-amine has a molecular weight of 223.36 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-hexylimidazol-2-amine is sourced from PubChem (CID 106573794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).