(E)-N-[3-(cyclopropylamino)propyl]-N'-[3-[cyclopropyl(methyl)amino]propyl]but-2-ene-1,4-diamine

C17H34N4 — CID 67647532

IUPAC(E)-N-[3-(cyclopropylamino)propyl]-N'-[3-[cyclopropyl(methyl)amino]propyl]but-2-ene-1,4-diamine
SMILESCN(CCCNC/C=C/CNCCCNC1CC1)C1CC1
InChIInChI=1S/C17H34N4/c1-21(17-8-9-17)15-5-13-19-11-3-2-10-18-12-4-14-20-16-6-7-16/h2-3,16-20H,4-15H2,1H3/b3-2+
InChIKeySEEVKZJOWBUPNR-NSCUHMNNSA-N
MW294.49 g/mol
LogP1.35
Rot. Bonds14

About (E)-N-[3-(cyclopropylamino)propyl]-N'-[3-[cyclopropyl(methyl)amino]propyl]but-2-ene-1,4-diamine

(E)-N-[3-(cyclopropylamino)propyl]-N'-[3-[cyclopropyl(methyl)amino]propyl]but-2-ene-1,4-diamine (PubChem CID 67647532) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is (E)-N-[3-(cyclopropylamino)propyl]-N'-[3-[cyclopropyl(methyl)amino]propyl]but-2-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-N-[3-(cyclopropylamino)propyl]-N'-[3-[cyclopropyl(methyl)amino]propyl]but-2-ene-1,4-diamine
PubChem CID67647532
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name(E)-N-[3-(cyclopropylamino)propyl]-N'-[3-[cyclopropyl(methyl)amino]propyl]but-2-ene-1,4-diamine
SMILESCN(CCCNC/C=C/CNCCCNC1CC1)C1CC1
InChIInChI=1S/C17H34N4/c1-21(17-8-9-17)15-5-13-19-11-3-2-10-18-12-4-14-20-16-6-7-16/h2-3,16-20H,4-15H2,1H3/b3-2+
InChIKeySEEVKZJOWBUPNR-NSCUHMNNSA-N
XLogP1.35
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-[3-(cyclopropylamino)propyl]-N'-[3-[cyclopropyl(methyl)amino]propyl]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-(cyclopropylamino)propyl]-N'-[3-[cyclopropyl(methyl)amino]propyl]but-2-ene-1,4-diamine?
The IUPAC name of (E)-N-[3-(cyclopropylamino)propyl]-N'-[3-[cyclopropyl(methyl)amino]propyl]but-2-ene-1,4-diamine (CID 67647532) is (E)-N-[3-(cyclopropylamino)propyl]-N'-[3-[cyclopropyl(methyl)amino]propyl]but-2-ene-1,4-diamine.
What is the SMILES notation for (E)-N-[3-(cyclopropylamino)propyl]-N'-[3-[cyclopropyl(methyl)amino]propyl]but-2-ene-1,4-diamine?
The canonical SMILES for (E)-N-[3-(cyclopropylamino)propyl]-N'-[3-[cyclopropyl(methyl)amino]propyl]but-2-ene-1,4-diamine is CN(CCCNC/C=C/CNCCCNC1CC1)C1CC1.
What is the InChIKey of (E)-N-[3-(cyclopropylamino)propyl]-N'-[3-[cyclopropyl(methyl)amino]propyl]but-2-ene-1,4-diamine?
The InChIKey is SEEVKZJOWBUPNR-NSCUHMNNSA-N. The full InChI is InChI=1S/C17H34N4/c1-21(17-8-9-17)15-5-13-19-11-3-2-10-18-12-4-14-20-16-6-7-16/h2-3,16-20H,4-15H2,1H3/b3-2+.
What are the key properties of (E)-N-[3-(cyclopropylamino)propyl]-N'-[3-[cyclopropyl(methyl)amino]propyl]but-2-ene-1,4-diamine?
(E)-N-[3-(cyclopropylamino)propyl]-N'-[3-[cyclopropyl(methyl)amino]propyl]but-2-ene-1,4-diamine has a molecular weight of 294.49 g/mol, XLogP of 1.35, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(cyclopropylamino)propyl]-N'-[3-[cyclopropyl(methyl)amino]propyl]but-2-ene-1,4-diamine is sourced from PubChem (CID 67647532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).