1-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-1-amine

C8H15N3 — CID 70618628

IUPAC1-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-1-amine
SMILESC=CCCC(N)C1=NCCN1
InChIInChI=1S/C8H15N3/c1-2-3-4-7(9)8-10-5-6-11-8/h2,7H,1,3-6,9H2,(H,10,11)
InChIKeyBBMHNABJMSCUSV-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.28
Rot. Bonds4

About 1-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-1-amine

1-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-1-amine (PubChem CID 70618628) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-1-amine.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-1-amine
PubChem CID70618628
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-1-amine
SMILESC=CCCC(N)C1=NCCN1
InChIInChI=1S/C8H15N3/c1-2-3-4-7(9)8-10-5-6-11-8/h2,7H,1,3-6,9H2,(H,10,11)
InChIKeyBBMHNABJMSCUSV-UHFFFAOYSA-N
XLogP0.28
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-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 1-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-1-amine?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-1-amine (CID 70618628) is 1-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-1-amine.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-1-amine?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-1-amine is C=CCCC(N)C1=NCCN1.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-1-amine?
The InChIKey is BBMHNABJMSCUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-2-3-4-7(9)8-10-5-6-11-8/h2,7H,1,3-6,9H2,(H,10,11).
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-1-amine?
1-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-1-amine has a molecular weight of 153.23 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-1-amine is sourced from PubChem (CID 70618628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).