1-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine

C8H15N3 — CID 70618629

IUPAC1-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine
SMILESC=CCC(N)CN1C=NCC1
InChIInChI=1S/C8H15N3/c1-2-3-8(9)6-11-5-4-10-7-11/h2,7-8H,1,3-6,9H2
InChIKeyURGWRFMWPFRZLR-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.23
Rot. Bonds4

About 1-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine

1-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine (PubChem CID 70618629) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine.

Molecular Properties

Compound Name1-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine
PubChem CID70618629
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine
SMILESC=CCC(N)CN1C=NCC1
InChIInChI=1S/C8H15N3/c1-2-3-8(9)6-11-5-4-10-7-11/h2,7-8H,1,3-6,9H2
InChIKeyURGWRFMWPFRZLR-UHFFFAOYSA-N
XLogP0.23
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4,5-dihydroimidazol-1-yl)pent-4-en-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

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine?
The IUPAC name of 1-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine (CID 70618629) is 1-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine.
What is the SMILES notation for 1-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine?
The canonical SMILES for 1-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine is C=CCC(N)CN1C=NCC1.
What is the InChIKey of 1-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine?
The InChIKey is URGWRFMWPFRZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-2-3-8(9)6-11-5-4-10-7-11/h2,7-8H,1,3-6,9H2.
What are the key properties of 1-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine?
1-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine has a molecular weight of 153.23 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine is sourced from PubChem (CID 70618629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).