(4E,6Z)-6-ethyl-3-methylideneocta-4,6-dien-4-amine

C11H19N — CID 166909191

IUPAC(4E,6Z)-6-ethyl-3-methylideneocta-4,6-dien-4-amine
SMILESC=C(CC)/C(N)=C\C(=C/C)CC
InChIInChI=1S/C11H19N/c1-5-9(4)11(12)8-10(6-2)7-3/h6,8H,4-5,7,12H2,1-3H3/b10-6-,11-8+
InChIKeyMTMWZAFTZIQAQU-YANFREPOSA-N
MW165.28 g/mol
LogP3.15
Rot. Bonds4

About (4E,6Z)-6-ethyl-3-methylideneocta-4,6-dien-4-amine

(4E,6Z)-6-ethyl-3-methylideneocta-4,6-dien-4-amine (PubChem CID 166909191) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (4E,6Z)-6-ethyl-3-methylideneocta-4,6-dien-4-amine.

Molecular Properties

Compound Name(4E,6Z)-6-ethyl-3-methylideneocta-4,6-dien-4-amine
PubChem CID166909191
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(4E,6Z)-6-ethyl-3-methylideneocta-4,6-dien-4-amine
SMILESC=C(CC)/C(N)=C\C(=C/C)CC
InChIInChI=1S/C11H19N/c1-5-9(4)11(12)8-10(6-2)7-3/h6,8H,4-5,7,12H2,1-3H3/b10-6-,11-8+
InChIKeyMTMWZAFTZIQAQU-YANFREPOSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4E,6Z)-6-ethyl-3-methylideneocta-4,6-dien-4-amine 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 (4E,6Z)-6-ethyl-3-methylideneocta-4,6-dien-4-amine?
The IUPAC name of (4E,6Z)-6-ethyl-3-methylideneocta-4,6-dien-4-amine (CID 166909191) is (4E,6Z)-6-ethyl-3-methylideneocta-4,6-dien-4-amine.
What is the SMILES notation for (4E,6Z)-6-ethyl-3-methylideneocta-4,6-dien-4-amine?
The canonical SMILES for (4E,6Z)-6-ethyl-3-methylideneocta-4,6-dien-4-amine is C=C(CC)/C(N)=C\C(=C/C)CC.
What is the InChIKey of (4E,6Z)-6-ethyl-3-methylideneocta-4,6-dien-4-amine?
The InChIKey is MTMWZAFTZIQAQU-YANFREPOSA-N. The full InChI is InChI=1S/C11H19N/c1-5-9(4)11(12)8-10(6-2)7-3/h6,8H,4-5,7,12H2,1-3H3/b10-6-,11-8+.
What are the key properties of (4E,6Z)-6-ethyl-3-methylideneocta-4,6-dien-4-amine?
(4E,6Z)-6-ethyl-3-methylideneocta-4,6-dien-4-amine has a molecular weight of 165.28 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-6-ethyl-3-methylideneocta-4,6-dien-4-amine is sourced from PubChem (CID 166909191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).