(2E,4E,6Z)-5-N,5-N-dimethylocta-2,4,6-triene-2,5-diamine

C10H18N2 — CID 89293408

IUPAC(2E,4E,6Z)-5-N,5-N-dimethylocta-2,4,6-triene-2,5-diamine
SMILESC/C=C\C(=C/C=C(\C)N)N(C)C
InChIInChI=1S/C10H18N2/c1-5-6-10(12(3)4)8-7-9(2)11/h5-8H,11H2,1-4H3/b6-5-,9-7+,10-8+
InChIKeyNEGWDKKRXQKOOP-WDGPHVMXSA-N
MW166.27 g/mol
LogP1.87
Rot. Bonds3

About (2E,4E,6Z)-5-N,5-N-dimethylocta-2,4,6-triene-2,5-diamine

(2E,4E,6Z)-5-N,5-N-dimethylocta-2,4,6-triene-2,5-diamine (PubChem CID 89293408) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (2E,4E,6Z)-5-N,5-N-dimethylocta-2,4,6-triene-2,5-diamine.

Molecular Properties

Compound Name(2E,4E,6Z)-5-N,5-N-dimethylocta-2,4,6-triene-2,5-diamine
PubChem CID89293408
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(2E,4E,6Z)-5-N,5-N-dimethylocta-2,4,6-triene-2,5-diamine
SMILESC/C=C\C(=C/C=C(\C)N)N(C)C
InChIInChI=1S/C10H18N2/c1-5-6-10(12(3)4)8-7-9(2)11/h5-8H,11H2,1-4H3/b6-5-,9-7+,10-8+
InChIKeyNEGWDKKRXQKOOP-WDGPHVMXSA-N
XLogP1.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.87
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,5-N-dimethylocta-2,4,6-triene-2,5-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,5-N-dimethylocta-2,4,6-triene-2,5-diamine?
The IUPAC name of (2E,4E,6Z)-5-N,5-N-dimethylocta-2,4,6-triene-2,5-diamine (CID 89293408) is (2E,4E,6Z)-5-N,5-N-dimethylocta-2,4,6-triene-2,5-diamine.
What is the SMILES notation for (2E,4E,6Z)-5-N,5-N-dimethylocta-2,4,6-triene-2,5-diamine?
The canonical SMILES for (2E,4E,6Z)-5-N,5-N-dimethylocta-2,4,6-triene-2,5-diamine is C/C=C\C(=C/C=C(\C)N)N(C)C.
What is the InChIKey of (2E,4E,6Z)-5-N,5-N-dimethylocta-2,4,6-triene-2,5-diamine?
The InChIKey is NEGWDKKRXQKOOP-WDGPHVMXSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-6-10(12(3)4)8-7-9(2)11/h5-8H,11H2,1-4H3/b6-5-,9-7+,10-8+.
What are the key properties of (2E,4E,6Z)-5-N,5-N-dimethylocta-2,4,6-triene-2,5-diamine?
(2E,4E,6Z)-5-N,5-N-dimethylocta-2,4,6-triene-2,5-diamine has a molecular weight of 166.27 g/mol, XLogP of 1.87, 3 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,5-N-dimethylocta-2,4,6-triene-2,5-diamine is sourced from PubChem (CID 89293408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).