pent-4-ene-1,4-diamine

C5H12N2 — CID 87989098

IUPACpent-4-ene-1,4-diamine
SMILESC=C(N)CCCN
InChIInChI=1S/C5H12N2/c1-5(7)3-2-4-6/h1-4,6-7H2
InChIKeyHLMJBJZYTDVDRW-UHFFFAOYSA-N
MW100.17 g/mol
LogP0.20
Rot. Bonds3

About pent-4-ene-1,4-diamine

pent-4-ene-1,4-diamine (PubChem CID 87989098) has the molecular formula C5H12N2 and a molecular weight of 100.17 g/mol. Its IUPAC name is pent-4-ene-1,4-diamine.

Molecular Properties

Compound Namepent-4-ene-1,4-diamine
PubChem CID87989098
Molecular FormulaC5H12N2
Molecular Weight100.17 g/mol
Exact Mass100.10
IUPAC Namepent-4-ene-1,4-diamine
SMILESC=C(N)CCCN
InChIInChI=1S/C5H12N2/c1-5(7)3-2-4-6/h1-4,6-7H2
InChIKeyHLMJBJZYTDVDRW-UHFFFAOYSA-N
XLogP0.20
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.17
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze pent-4-ene-1,4-diamine 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 pent-4-ene-1,4-diamine?
The IUPAC name of pent-4-ene-1,4-diamine (CID 87989098) is pent-4-ene-1,4-diamine.
What is the SMILES notation for pent-4-ene-1,4-diamine?
The canonical SMILES for pent-4-ene-1,4-diamine is C=C(N)CCCN.
What is the InChIKey of pent-4-ene-1,4-diamine?
The InChIKey is HLMJBJZYTDVDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-5(7)3-2-4-6/h1-4,6-7H2.
What are the key properties of pent-4-ene-1,4-diamine?
pent-4-ene-1,4-diamine has a molecular weight of 100.17 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-4-ene-1,4-diamine is sourced from PubChem (CID 87989098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).