pent-4-ene-1,2,2-triamine

C5H13N3 — CID 88705333

IUPACpent-4-ene-1,2,2-triamine
SMILESC=CCC(N)(N)CN
InChIInChI=1S/C5H13N3/c1-2-3-5(7,8)4-6/h2H,1,3-4,6-8H2
InChIKeyLTPDLHSRGBPDCG-UHFFFAOYSA-N
MW115.18 g/mol
LogP-0.87
Rot. Bonds3

About pent-4-ene-1,2,2-triamine

pent-4-ene-1,2,2-triamine (PubChem CID 88705333) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is pent-4-ene-1,2,2-triamine.

Molecular Properties

Compound Namepent-4-ene-1,2,2-triamine
PubChem CID88705333
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC Namepent-4-ene-1,2,2-triamine
SMILESC=CCC(N)(N)CN
InChIInChI=1S/C5H13N3/c1-2-3-5(7,8)4-6/h2H,1,3-4,6-8H2
InChIKeyLTPDLHSRGBPDCG-UHFFFAOYSA-N
XLogP-0.87
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze pent-4-ene-1,2,2-triamine 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-1,2,2-triamine?
The IUPAC name of pent-4-ene-1,2,2-triamine (CID 88705333) is pent-4-ene-1,2,2-triamine.
What is the SMILES notation for pent-4-ene-1,2,2-triamine?
The canonical SMILES for pent-4-ene-1,2,2-triamine is C=CCC(N)(N)CN.
What is the InChIKey of pent-4-ene-1,2,2-triamine?
The InChIKey is LTPDLHSRGBPDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3/c1-2-3-5(7,8)4-6/h2H,1,3-4,6-8H2.
What are the key properties of pent-4-ene-1,2,2-triamine?
pent-4-ene-1,2,2-triamine has a molecular weight of 115.18 g/mol, XLogP of -0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pent-4-ene-1,2,2-triamine is sourced from PubChem (CID 88705333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).