4-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]hex-5-ene-1,4,5-triamine

C15H27N3 — CID 166817727

IUPAC4-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]hex-5-ene-1,4,5-triamine
SMILESC=C/C=C(\C=C/C)CNC(=C)C(CCCN)NC
InChIInChI=1S/C15H27N3/c1-5-8-14(9-6-2)12-18-13(3)15(17-4)10-7-11-16/h5-6,8-9,15,17-18H,1,3,7,10-12,16H2,2,4H3/b9-6-,14-8+
InChIKeySSRWLCOWFUVUSP-UVPTZGENSA-N
MW249.40 g/mol
LogP2.11
Rot. Bonds10

About 4-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]hex-5-ene-1,4,5-triamine

4-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]hex-5-ene-1,4,5-triamine (PubChem CID 166817727) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]hex-5-ene-1,4,5-triamine.

Molecular Properties

Compound Name4-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]hex-5-ene-1,4,5-triamine
PubChem CID166817727
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name4-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]hex-5-ene-1,4,5-triamine
SMILESC=C/C=C(\C=C/C)CNC(=C)C(CCCN)NC
InChIInChI=1S/C15H27N3/c1-5-8-14(9-6-2)12-18-13(3)15(17-4)10-7-11-16/h5-6,8-9,15,17-18H,1,3,7,10-12,16H2,2,4H3/b9-6-,14-8+
InChIKeySSRWLCOWFUVUSP-UVPTZGENSA-N
XLogP2.11
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]hex-5-ene-1,4,5-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 4-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]hex-5-ene-1,4,5-triamine?
The IUPAC name of 4-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]hex-5-ene-1,4,5-triamine (CID 166817727) is 4-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]hex-5-ene-1,4,5-triamine.
What is the SMILES notation for 4-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]hex-5-ene-1,4,5-triamine?
The canonical SMILES for 4-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]hex-5-ene-1,4,5-triamine is C=C/C=C(\C=C/C)CNC(=C)C(CCCN)NC.
What is the InChIKey of 4-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]hex-5-ene-1,4,5-triamine?
The InChIKey is SSRWLCOWFUVUSP-UVPTZGENSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-8-14(9-6-2)12-18-13(3)15(17-4)10-7-11-16/h5-6,8-9,15,17-18H,1,3,7,10-12,16H2,2,4H3/b9-6-,14-8+.
What are the key properties of 4-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]hex-5-ene-1,4,5-triamine?
4-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]hex-5-ene-1,4,5-triamine has a molecular weight of 249.40 g/mol, XLogP of 2.11, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]hex-5-ene-1,4,5-triamine is sourced from PubChem (CID 166817727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).