(2E,4E,6Z)-5-N-butyl-5-N-ethylocta-2,4,6-triene-1,5-diamine

C14H26N2 — CID 130450116

IUPAC(2E,4E,6Z)-5-N-butyl-5-N-ethylocta-2,4,6-triene-1,5-diamine
SMILESC/C=C\C(=C/C=C/CN)N(CC)CCCC
InChIInChI=1S/C14H26N2/c1-4-7-13-16(6-3)14(10-5-2)11-8-9-12-15/h5,8-11H,4,6-7,12-13,15H2,1-3H3/b9-8+,10-5-,14-11+
InChIKeyVVRLQEIIPRUGFP-SZUJXQEJSA-N
MW222.38 g/mol
LogP3.08
Rot. Bonds8

About (2E,4E,6Z)-5-N-butyl-5-N-ethylocta-2,4,6-triene-1,5-diamine

(2E,4E,6Z)-5-N-butyl-5-N-ethylocta-2,4,6-triene-1,5-diamine (PubChem CID 130450116) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is (2E,4E,6Z)-5-N-butyl-5-N-ethylocta-2,4,6-triene-1,5-diamine.

Molecular Properties

Compound Name(2E,4E,6Z)-5-N-butyl-5-N-ethylocta-2,4,6-triene-1,5-diamine
PubChem CID130450116
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name(2E,4E,6Z)-5-N-butyl-5-N-ethylocta-2,4,6-triene-1,5-diamine
SMILESC/C=C\C(=C/C=C/CN)N(CC)CCCC
InChIInChI=1S/C14H26N2/c1-4-7-13-16(6-3)14(10-5-2)11-8-9-12-15/h5,8-11H,4,6-7,12-13,15H2,1-3H3/b9-8+,10-5-,14-11+
InChIKeyVVRLQEIIPRUGFP-SZUJXQEJSA-N
XLogP3.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4E,6Z)-5-N-butyl-5-N-ethylocta-2,4,6-triene-1,5-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 (2E,4E,6Z)-5-N-butyl-5-N-ethylocta-2,4,6-triene-1,5-diamine?
The IUPAC name of (2E,4E,6Z)-5-N-butyl-5-N-ethylocta-2,4,6-triene-1,5-diamine (CID 130450116) is (2E,4E,6Z)-5-N-butyl-5-N-ethylocta-2,4,6-triene-1,5-diamine.
What is the SMILES notation for (2E,4E,6Z)-5-N-butyl-5-N-ethylocta-2,4,6-triene-1,5-diamine?
The canonical SMILES for (2E,4E,6Z)-5-N-butyl-5-N-ethylocta-2,4,6-triene-1,5-diamine is C/C=C\C(=C/C=C/CN)N(CC)CCCC.
What is the InChIKey of (2E,4E,6Z)-5-N-butyl-5-N-ethylocta-2,4,6-triene-1,5-diamine?
The InChIKey is VVRLQEIIPRUGFP-SZUJXQEJSA-N. The full InChI is InChI=1S/C14H26N2/c1-4-7-13-16(6-3)14(10-5-2)11-8-9-12-15/h5,8-11H,4,6-7,12-13,15H2,1-3H3/b9-8+,10-5-,14-11+.
What are the key properties of (2E,4E,6Z)-5-N-butyl-5-N-ethylocta-2,4,6-triene-1,5-diamine?
(2E,4E,6Z)-5-N-butyl-5-N-ethylocta-2,4,6-triene-1,5-diamine has a molecular weight of 222.38 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z)-5-N-butyl-5-N-ethylocta-2,4,6-triene-1,5-diamine is sourced from PubChem (CID 130450116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).