(3E,5Z)-4-ethyl-5-methyl-3-(methyliminomethyl)octa-1,3,5,7-tetraen-2-amine

C13H20N2 — CID 134419995

IUPAC(3E,5Z)-4-ethyl-5-methyl-3-(methyliminomethyl)octa-1,3,5,7-tetraen-2-amine
SMILESC=C/C=C(C)\C(CC)=C(\C=N\C)C(=C)N
InChIInChI=1S/C13H20N2/c1-6-8-10(3)12(7-2)13(9-15-5)11(4)14/h6,8-9H,1,4,7,14H2,2-3,5H3/b10-8-,13-12-,15-9+
InChIKeyXKSYPCXCKDEHDK-DYCXAJGZSA-N
MW204.32 g/mol
LogP3.00
Rot. Bonds5

About (3E,5Z)-4-ethyl-5-methyl-3-(methyliminomethyl)octa-1,3,5,7-tetraen-2-amine

(3E,5Z)-4-ethyl-5-methyl-3-(methyliminomethyl)octa-1,3,5,7-tetraen-2-amine (PubChem CID 134419995) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (3E,5Z)-4-ethyl-5-methyl-3-(methyliminomethyl)octa-1,3,5,7-tetraen-2-amine.

Molecular Properties

Compound Name(3E,5Z)-4-ethyl-5-methyl-3-(methyliminomethyl)octa-1,3,5,7-tetraen-2-amine
PubChem CID134419995
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(3E,5Z)-4-ethyl-5-methyl-3-(methyliminomethyl)octa-1,3,5,7-tetraen-2-amine
SMILESC=C/C=C(C)\C(CC)=C(\C=N\C)C(=C)N
InChIInChI=1S/C13H20N2/c1-6-8-10(3)12(7-2)13(9-15-5)11(4)14/h6,8-9H,1,4,7,14H2,2-3,5H3/b10-8-,13-12-,15-9+
InChIKeyXKSYPCXCKDEHDK-DYCXAJGZSA-N
XLogP3.00
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,5Z)-4-ethyl-5-methyl-3-(methyliminomethyl)octa-1,3,5,7-tetraen-2-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 (3E,5Z)-4-ethyl-5-methyl-3-(methyliminomethyl)octa-1,3,5,7-tetraen-2-amine?
The IUPAC name of (3E,5Z)-4-ethyl-5-methyl-3-(methyliminomethyl)octa-1,3,5,7-tetraen-2-amine (CID 134419995) is (3E,5Z)-4-ethyl-5-methyl-3-(methyliminomethyl)octa-1,3,5,7-tetraen-2-amine.
What is the SMILES notation for (3E,5Z)-4-ethyl-5-methyl-3-(methyliminomethyl)octa-1,3,5,7-tetraen-2-amine?
The canonical SMILES for (3E,5Z)-4-ethyl-5-methyl-3-(methyliminomethyl)octa-1,3,5,7-tetraen-2-amine is C=C/C=C(C)\C(CC)=C(\C=N\C)C(=C)N.
What is the InChIKey of (3E,5Z)-4-ethyl-5-methyl-3-(methyliminomethyl)octa-1,3,5,7-tetraen-2-amine?
The InChIKey is XKSYPCXCKDEHDK-DYCXAJGZSA-N. The full InChI is InChI=1S/C13H20N2/c1-6-8-10(3)12(7-2)13(9-15-5)11(4)14/h6,8-9H,1,4,7,14H2,2-3,5H3/b10-8-,13-12-,15-9+.
What are the key properties of (3E,5Z)-4-ethyl-5-methyl-3-(methyliminomethyl)octa-1,3,5,7-tetraen-2-amine?
(3E,5Z)-4-ethyl-5-methyl-3-(methyliminomethyl)octa-1,3,5,7-tetraen-2-amine has a molecular weight of 204.32 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-ethyl-5-methyl-3-(methyliminomethyl)octa-1,3,5,7-tetraen-2-amine is sourced from PubChem (CID 134419995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).