2-[[(2E,4E,6Z)-4-methylocta-2,4,6-trienylidene]amino]ethene-1,1-diamine

C11H17N3 — CID 167104094

IUPAC2-[[(2E,4E,6Z)-4-methylocta-2,4,6-trienylidene]amino]ethene-1,1-diamine
SMILESC/C=C\C=C(C)\C=C\C=N\C=C(N)N
InChIInChI=1S/C11H17N3/c1-3-4-6-10(2)7-5-8-14-9-11(12)13/h3-9H,12-13H2,1-2H3/b4-3-,7-5+,10-6+,14-8+
InChIKeyUFNSPUUXRXLVIC-OANAOAAOSA-N
MW191.28 g/mol
LogP1.85
Rot. Bonds4

About 2-[[(2E,4E,6Z)-4-methylocta-2,4,6-trienylidene]amino]ethene-1,1-diamine

2-[[(2E,4E,6Z)-4-methylocta-2,4,6-trienylidene]amino]ethene-1,1-diamine (PubChem CID 167104094) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-[[(2E,4E,6Z)-4-methylocta-2,4,6-trienylidene]amino]ethene-1,1-diamine.

Molecular Properties

Compound Name2-[[(2E,4E,6Z)-4-methylocta-2,4,6-trienylidene]amino]ethene-1,1-diamine
PubChem CID167104094
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-[[(2E,4E,6Z)-4-methylocta-2,4,6-trienylidene]amino]ethene-1,1-diamine
SMILESC/C=C\C=C(C)\C=C\C=N\C=C(N)N
InChIInChI=1S/C11H17N3/c1-3-4-6-10(2)7-5-8-14-9-11(12)13/h3-9H,12-13H2,1-2H3/b4-3-,7-5+,10-6+,14-8+
InChIKeyUFNSPUUXRXLVIC-OANAOAAOSA-N
XLogP1.85
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-[[(2E,4E,6Z)-4-methylocta-2,4,6-trienylidene]amino]ethene-1,1-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 2-[[(2E,4E,6Z)-4-methylocta-2,4,6-trienylidene]amino]ethene-1,1-diamine?
The IUPAC name of 2-[[(2E,4E,6Z)-4-methylocta-2,4,6-trienylidene]amino]ethene-1,1-diamine (CID 167104094) is 2-[[(2E,4E,6Z)-4-methylocta-2,4,6-trienylidene]amino]ethene-1,1-diamine.
What is the SMILES notation for 2-[[(2E,4E,6Z)-4-methylocta-2,4,6-trienylidene]amino]ethene-1,1-diamine?
The canonical SMILES for 2-[[(2E,4E,6Z)-4-methylocta-2,4,6-trienylidene]amino]ethene-1,1-diamine is C/C=C\C=C(C)\C=C\C=N\C=C(N)N.
What is the InChIKey of 2-[[(2E,4E,6Z)-4-methylocta-2,4,6-trienylidene]amino]ethene-1,1-diamine?
The InChIKey is UFNSPUUXRXLVIC-OANAOAAOSA-N. The full InChI is InChI=1S/C11H17N3/c1-3-4-6-10(2)7-5-8-14-9-11(12)13/h3-9H,12-13H2,1-2H3/b4-3-,7-5+,10-6+,14-8+.
What are the key properties of 2-[[(2E,4E,6Z)-4-methylocta-2,4,6-trienylidene]amino]ethene-1,1-diamine?
2-[[(2E,4E,6Z)-4-methylocta-2,4,6-trienylidene]amino]ethene-1,1-diamine has a molecular weight of 191.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2E,4E,6Z)-4-methylocta-2,4,6-trienylidene]amino]ethene-1,1-diamine is sourced from PubChem (CID 167104094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).