(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine

C12H19N — CID 143363501

IUPAC(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine
SMILESC=C(C)/C(C)=C/C=C(\C)C(=C)NC
InChIInChI=1S/C12H19N/c1-9(2)10(3)7-8-11(4)12(5)13-6/h7-8,13H,1,5H2,2-4,6H3/b10-7+,11-8+
InChIKeyVAFFKAQWLDAFHG-AMMQDNIMSA-N
MW177.29 g/mol
LogP3.19
Rot. Bonds4

About (3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine

(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine (PubChem CID 143363501) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine.

Molecular Properties

Compound Name(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine
PubChem CID143363501
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine
SMILESC=C(C)/C(C)=C/C=C(\C)C(=C)NC
InChIInChI=1S/C12H19N/c1-9(2)10(3)7-8-11(4)12(5)13-6/h7-8,13H,1,5H2,2-4,6H3/b10-7+,11-8+
InChIKeyVAFFKAQWLDAFHG-AMMQDNIMSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,5E)-N,3,6,7-tetramethylocta-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

Related Compounds

ethane;2-methylpropane;(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine
CID 143363500
(1E,3E,5E)-1-bromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene
CID 58730070
(2E,4E)-N-ethyl-5,6-dimethylhepta-2,4,6-trien-2-amine
CID 143694082
(2Z)-N,3,4-trimethylpenta-2,4-dien-1-imine
CID 143116223
2,3-dimethylbuta-1,3-dienylboronic acid
CID 58956895
(1Z)-2,3-dimethylbuta-1,3-dien-1-ol
CID 143116210
(3E)-5-(2-ethenylhydrazinyl)-N,3-dimethylhexa-1,3,5-trien-2-amine
CID 170238138
(3E,5Z,7E)-2,3-dimethyl-7-prop-1-en-2-ylnona-1,3,5,7-tetraene
CID 163402512
ethane;(4Z,6E)-N,2,4,7,8-pentamethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-3-amine
CID 164546966
(3E)-N,3,6-trimethylnona-1,3-dien-2-amine
CID 139564567
N,2-dimethylprop-2-enamide;ethane
CID 142291054
(3E)-4,5-dimethylhexa-1,3,5-triene-2-thiol
CID 176921719

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine?
The IUPAC name of (3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine (CID 143363501) is (3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine.
What is the SMILES notation for (3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine?
The canonical SMILES for (3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine is C=C(C)/C(C)=C/C=C(\C)C(=C)NC.
What is the InChIKey of (3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine?
The InChIKey is VAFFKAQWLDAFHG-AMMQDNIMSA-N. The full InChI is InChI=1S/C12H19N/c1-9(2)10(3)7-8-11(4)12(5)13-6/h7-8,13H,1,5H2,2-4,6H3/b10-7+,11-8+.
What are the key properties of (3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine?
(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine has a molecular weight of 177.29 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine is sourced from PubChem (CID 143363501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).