pent-2-ene-1,2-diamine

C5H12N2 — CID 147764771

IUPACpent-2-ene-1,2-diamine
SMILESCCC=C(N)CN
InChIInChI=1S/C5H12N2/c1-2-3-5(7)4-6/h3H,2,4,6-7H2,1H3
InChIKeyHETXKSNIARCJMJ-UHFFFAOYSA-N
MW100.16 g/mol
LogP0.20
Rot. Bonds2

About pent-2-ene-1,2-diamine

pent-2-ene-1,2-diamine (PubChem CID 147764771) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is pent-2-ene-1,2-diamine.

Molecular Properties

Compound Namepent-2-ene-1,2-diamine
PubChem CID147764771
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Namepent-2-ene-1,2-diamine
SMILESCCC=C(N)CN
InChIInChI=1S/C5H12N2/c1-2-3-5(7)4-6/h3H,2,4,6-7H2,1H3
InChIKeyHETXKSNIARCJMJ-UHFFFAOYSA-N
XLogP0.20
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze pent-2-ene-1,2-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-2-ene-1,2-diamine?
The IUPAC name of pent-2-ene-1,2-diamine (CID 147764771) is pent-2-ene-1,2-diamine.
What is the SMILES notation for pent-2-ene-1,2-diamine?
The canonical SMILES for pent-2-ene-1,2-diamine is CCC=C(N)CN.
What is the InChIKey of pent-2-ene-1,2-diamine?
The InChIKey is HETXKSNIARCJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-2-3-5(7)4-6/h3H,2,4,6-7H2,1H3.
What are the key properties of pent-2-ene-1,2-diamine?
pent-2-ene-1,2-diamine has a molecular weight of 100.16 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-2-ene-1,2-diamine is sourced from PubChem (CID 147764771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).