4-(1H-imidazol-5-yl)-N-propylbutan-1-amine

C10H19N3 — CID 11600779

IUPAC4-(1H-imidazol-5-yl)-N-propylbutan-1-amine
SMILESCCCNCCCCc1cnc[nH]1
InChIInChI=1S/C10H19N3/c1-2-6-11-7-4-3-5-10-8-12-9-13-10/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyHYPICKIQGZNVCT-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.73
Rot. Bonds7

About 4-(1H-imidazol-5-yl)-N-propylbutan-1-amine

4-(1H-imidazol-5-yl)-N-propylbutan-1-amine (PubChem CID 11600779) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)-N-propylbutan-1-amine
PubChem CID11600779
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name4-(1H-imidazol-5-yl)-N-propylbutan-1-amine
SMILESCCCNCCCCc1cnc[nH]1
InChIInChI=1S/C10H19N3/c1-2-6-11-7-4-3-5-10-8-12-9-13-10/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyHYPICKIQGZNVCT-UHFFFAOYSA-N
XLogP1.73
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(1H-imidazol-5-yl)-N-propylbutan-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 4-(1H-imidazol-5-yl)-N-propylbutan-1-amine?
The IUPAC name of 4-(1H-imidazol-5-yl)-N-propylbutan-1-amine (CID 11600779) is 4-(1H-imidazol-5-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-(1H-imidazol-5-yl)-N-propylbutan-1-amine?
The canonical SMILES for 4-(1H-imidazol-5-yl)-N-propylbutan-1-amine is CCCNCCCCc1cnc[nH]1.
What is the InChIKey of 4-(1H-imidazol-5-yl)-N-propylbutan-1-amine?
The InChIKey is HYPICKIQGZNVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-2-6-11-7-4-3-5-10-8-12-9-13-10/h8-9,11H,2-7H2,1H3,(H,12,13).
What are the key properties of 4-(1H-imidazol-5-yl)-N-propylbutan-1-amine?
4-(1H-imidazol-5-yl)-N-propylbutan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 11600779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).