(E)-N'-(3-aminopropyl)but-2-ene-1,4-diamine

C7H17N3 — CID 6437187

IUPAC(E)-N'-(3-aminopropyl)but-2-ene-1,4-diamine
SMILESNC/C=C/CNCCCN
InChIInChI=1S/C7H17N3/c8-4-1-2-6-10-7-3-5-9/h1-2,10H,3-9H2/b2-1+
InChIKeyWLSWOWSGPRTMKO-OWOJBTEDSA-N
MW143.23 g/mol
LogP-0.56
Rot. Bonds6

About (E)-N'-(3-aminopropyl)but-2-ene-1,4-diamine

(E)-N'-(3-aminopropyl)but-2-ene-1,4-diamine (PubChem CID 6437187) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is (E)-N'-(3-aminopropyl)but-2-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-N'-(3-aminopropyl)but-2-ene-1,4-diamine
PubChem CID6437187
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name(E)-N'-(3-aminopropyl)but-2-ene-1,4-diamine
SMILESNC/C=C/CNCCCN
InChIInChI=1S/C7H17N3/c8-4-1-2-6-10-7-3-5-9/h1-2,10H,3-9H2/b2-1+
InChIKeyWLSWOWSGPRTMKO-OWOJBTEDSA-N
XLogP-0.56
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N'-(3-aminopropyl)but-2-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 (E)-N'-(3-aminopropyl)but-2-ene-1,4-diamine?
The IUPAC name of (E)-N'-(3-aminopropyl)but-2-ene-1,4-diamine (CID 6437187) is (E)-N'-(3-aminopropyl)but-2-ene-1,4-diamine.
What is the SMILES notation for (E)-N'-(3-aminopropyl)but-2-ene-1,4-diamine?
The canonical SMILES for (E)-N'-(3-aminopropyl)but-2-ene-1,4-diamine is NC/C=C/CNCCCN.
What is the InChIKey of (E)-N'-(3-aminopropyl)but-2-ene-1,4-diamine?
The InChIKey is WLSWOWSGPRTMKO-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H17N3/c8-4-1-2-6-10-7-3-5-9/h1-2,10H,3-9H2/b2-1+.
What are the key properties of (E)-N'-(3-aminopropyl)but-2-ene-1,4-diamine?
(E)-N'-(3-aminopropyl)but-2-ene-1,4-diamine has a molecular weight of 143.23 g/mol, XLogP of -0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(3-aminopropyl)but-2-ene-1,4-diamine is sourced from PubChem (CID 6437187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).