(3E,5E)-4-N,5-N,2-trimethylocta-1,3,5-triene-4,5-diamine

C11H20N2 — CID 89495189

IUPAC(3E,5E)-4-N,5-N,2-trimethylocta-1,3,5-triene-4,5-diamine
SMILESC=C(C)/C=C(NC)\C(=C/CC)NC
InChIInChI=1S/C11H20N2/c1-6-7-10(12-4)11(13-5)8-9(2)3/h7-8,12-13H,2,6H2,1,3-5H3/b10-7+,11-8+
InChIKeyVQZGMMFCBYAFOH-AMMQDNIMSA-N
MW180.29 g/mol
LogP2.18
Rot. Bonds5

About (3E,5E)-4-N,5-N,2-trimethylocta-1,3,5-triene-4,5-diamine

(3E,5E)-4-N,5-N,2-trimethylocta-1,3,5-triene-4,5-diamine (PubChem CID 89495189) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (3E,5E)-4-N,5-N,2-trimethylocta-1,3,5-triene-4,5-diamine.

Molecular Properties

Compound Name(3E,5E)-4-N,5-N,2-trimethylocta-1,3,5-triene-4,5-diamine
PubChem CID89495189
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(3E,5E)-4-N,5-N,2-trimethylocta-1,3,5-triene-4,5-diamine
SMILESC=C(C)/C=C(NC)\C(=C/CC)NC
InChIInChI=1S/C11H20N2/c1-6-7-10(12-4)11(13-5)8-9(2)3/h7-8,12-13H,2,6H2,1,3-5H3/b10-7+,11-8+
InChIKeyVQZGMMFCBYAFOH-AMMQDNIMSA-N
XLogP2.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,5E)-4-N,5-N,2-trimethylocta-1,3,5-triene-4,5-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 (3E,5E)-4-N,5-N,2-trimethylocta-1,3,5-triene-4,5-diamine?
The IUPAC name of (3E,5E)-4-N,5-N,2-trimethylocta-1,3,5-triene-4,5-diamine (CID 89495189) is (3E,5E)-4-N,5-N,2-trimethylocta-1,3,5-triene-4,5-diamine.
What is the SMILES notation for (3E,5E)-4-N,5-N,2-trimethylocta-1,3,5-triene-4,5-diamine?
The canonical SMILES for (3E,5E)-4-N,5-N,2-trimethylocta-1,3,5-triene-4,5-diamine is C=C(C)/C=C(NC)\C(=C/CC)NC.
What is the InChIKey of (3E,5E)-4-N,5-N,2-trimethylocta-1,3,5-triene-4,5-diamine?
The InChIKey is VQZGMMFCBYAFOH-AMMQDNIMSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-7-10(12-4)11(13-5)8-9(2)3/h7-8,12-13H,2,6H2,1,3-5H3/b10-7+,11-8+.
What are the key properties of (3E,5E)-4-N,5-N,2-trimethylocta-1,3,5-triene-4,5-diamine?
(3E,5E)-4-N,5-N,2-trimethylocta-1,3,5-triene-4,5-diamine has a molecular weight of 180.29 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-4-N,5-N,2-trimethylocta-1,3,5-triene-4,5-diamine is sourced from PubChem (CID 89495189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).