(1E,3Z,5Z)-4-methylhepta-1,3,5-trien-1-amine

C8H13N — CID 88966128

IUPAC(1E,3Z,5Z)-4-methylhepta-1,3,5-trien-1-amine
SMILESC/C=C\C(C)=C/C=C/N
InChIInChI=1S/C8H13N/c1-3-5-8(2)6-4-7-9/h3-7H,9H2,1-2H3/b5-3-,7-4+,8-6-
InChIKeyCNFNDSQBMPHLPH-KCGRKFFMSA-N
MW123.20 g/mol
LogP1.98
Rot. Bonds2

About (1E,3Z,5Z)-4-methylhepta-1,3,5-trien-1-amine

(1E,3Z,5Z)-4-methylhepta-1,3,5-trien-1-amine (PubChem CID 88966128) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (1E,3Z,5Z)-4-methylhepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3Z,5Z)-4-methylhepta-1,3,5-trien-1-amine
PubChem CID88966128
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(1E,3Z,5Z)-4-methylhepta-1,3,5-trien-1-amine
SMILESC/C=C\C(C)=C/C=C/N
InChIInChI=1S/C8H13N/c1-3-5-8(2)6-4-7-9/h3-7H,9H2,1-2H3/b5-3-,7-4+,8-6-
InChIKeyCNFNDSQBMPHLPH-KCGRKFFMSA-N
XLogP1.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1E,3Z,5Z)-4-methylhepta-1,3,5-trien-1-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

(1Z,3E,5E,7Z,9Z,11E)-7-methyltrideca-1,3,5,7,9,11-hexaen-1-amine
CID 145412761
(3Z,5Z,7E)-6-methylnona-1,3,5,7-tetraene
CID 144512529
(1Z,3E,5Z,7E)-8-fluoro-4,7-dimethylnona-1,3,5,7-tetraen-1-amine
CID 146550324
(1E,3Z)-4,6-dimethylhepta-1,3,5-trien-1-amine
CID 143275427
(4E,6Z)-2,5-dimethylocta-2,4,6-triene
CID 124560377
(3E,5E,7E,9E,11E,13Z,15E,17E)-3,7,12,16-tetramethylnonadeca-3,5,7,9,11,13,15,17-octaen-2-one
CID 10496105
(3E,5Z,7Z)-6-methylnona-1,3,5,7-tetraen-3-amine
CID 143332399
(1Z,3Z,5E)-1-fluoro-3-methylhepta-1,3,5-triene
CID 89402474
ethane;(2E,4Z,6E)-2-fluoro-5-methylocta-2,4,6-triene
CID 144635902
(2Z,4E)-5-aminopenta-2,4-diene-2-thiol
CID 89363639
(1Z,3Z,6E)-5-methylideneocta-1,3,6-trien-1-amine
CID 89470665
(Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene
CID 142057667

Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5Z)-4-methylhepta-1,3,5-trien-1-amine?
The IUPAC name of (1E,3Z,5Z)-4-methylhepta-1,3,5-trien-1-amine (CID 88966128) is (1E,3Z,5Z)-4-methylhepta-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3Z,5Z)-4-methylhepta-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3Z,5Z)-4-methylhepta-1,3,5-trien-1-amine is C/C=C\C(C)=C/C=C/N.
What is the InChIKey of (1E,3Z,5Z)-4-methylhepta-1,3,5-trien-1-amine?
The InChIKey is CNFNDSQBMPHLPH-KCGRKFFMSA-N. The full InChI is InChI=1S/C8H13N/c1-3-5-8(2)6-4-7-9/h3-7H,9H2,1-2H3/b5-3-,7-4+,8-6-.
What are the key properties of (1E,3Z,5Z)-4-methylhepta-1,3,5-trien-1-amine?
(1E,3Z,5Z)-4-methylhepta-1,3,5-trien-1-amine has a molecular weight of 123.20 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z)-4-methylhepta-1,3,5-trien-1-amine is sourced from PubChem (CID 88966128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).