(3E)-3-ethylhexa-3,5-dien-1-imine

C8H13N — CID 163913850

IUPAC(3E)-3-ethylhexa-3,5-dien-1-imine
SMILES[H]/N=C/C/C(=C/C=C)CC
InChIInChI=1S/C8H13N/c1-3-5-8(4-2)6-7-9/h3,5,7,9H,1,4,6H2,2H3/b8-5+,9-7+
InChIKeyQUNGMYAFPPLQFZ-OCIXRKKMSA-N
MW123.20 g/mol
LogP2.55
Rot. Bonds4

About (3E)-3-ethylhexa-3,5-dien-1-imine

(3E)-3-ethylhexa-3,5-dien-1-imine (PubChem CID 163913850) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (3E)-3-ethylhexa-3,5-dien-1-imine.

Molecular Properties

Compound Name(3E)-3-ethylhexa-3,5-dien-1-imine
PubChem CID163913850
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(3E)-3-ethylhexa-3,5-dien-1-imine
SMILES[H]/N=C/C/C(=C/C=C)CC
InChIInChI=1S/C8H13N/c1-3-5-8(4-2)6-7-9/h3,5,7,9H,1,4,6H2,2H3/b8-5+,9-7+
InChIKeyQUNGMYAFPPLQFZ-OCIXRKKMSA-N
XLogP2.55
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E)-3-ethylhexa-3,5-dien-1-imine 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

propane;propane-1,3-diimine
CID 142057441
4-iminobutan-2-one
CID 20812331
ethane;(4E)-3-ethyl-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-imine
CID 164862576
(3Z)-hexa-3,5-dien-1-imine
CID 91265074
ethane;N-[(2E)-2-ethylpenta-2,4-dienyl]acetamide
CID 142287252
propane-1,3-diimine
CID 18934492
propane;propan-1-imine
CID 175287004
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 142915962
(3E)-4-fluorohexa-1,3-diene
CID 88586520
(4Z,6Z)-4-ethylocta-1,4,6-triene;methanamine
CID 142945126
butan-1-imine;prop-2-enamide
CID 175251221

Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethylhexa-3,5-dien-1-imine?
The IUPAC name of (3E)-3-ethylhexa-3,5-dien-1-imine (CID 163913850) is (3E)-3-ethylhexa-3,5-dien-1-imine.
What is the SMILES notation for (3E)-3-ethylhexa-3,5-dien-1-imine?
The canonical SMILES for (3E)-3-ethylhexa-3,5-dien-1-imine is [H]/N=C/C/C(=C/C=C)CC.
What is the InChIKey of (3E)-3-ethylhexa-3,5-dien-1-imine?
The InChIKey is QUNGMYAFPPLQFZ-OCIXRKKMSA-N. The full InChI is InChI=1S/C8H13N/c1-3-5-8(4-2)6-7-9/h3,5,7,9H,1,4,6H2,2H3/b8-5+,9-7+.
What are the key properties of (3E)-3-ethylhexa-3,5-dien-1-imine?
(3E)-3-ethylhexa-3,5-dien-1-imine has a molecular weight of 123.20 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethylhexa-3,5-dien-1-imine is sourced from PubChem (CID 163913850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).