N-[(2Z,4Z)-hepta-2,4-dien-3-yl]ethanimine

C9H15N — CID 91364199

IUPACN-[(2Z,4Z)-hepta-2,4-dien-3-yl]ethanimine
SMILESC/C=C(/C=C\CC)\N=C\C
InChIInChI=1S/C9H15N/c1-4-7-8-9(5-2)10-6-3/h5-8H,4H2,1-3H3/b8-7-,9-5-,10-6+
InChIKeyDBBJEEPMLZCTOP-HPVYWINVSA-N
MW137.23 g/mol
LogP2.95
Rot. Bonds3

About N-[(2Z,4Z)-hepta-2,4-dien-3-yl]ethanimine

N-[(2Z,4Z)-hepta-2,4-dien-3-yl]ethanimine (PubChem CID 91364199) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-[(2Z,4Z)-hepta-2,4-dien-3-yl]ethanimine.

Molecular Properties

Compound NameN-[(2Z,4Z)-hepta-2,4-dien-3-yl]ethanimine
PubChem CID91364199
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-[(2Z,4Z)-hepta-2,4-dien-3-yl]ethanimine
SMILESC/C=C(/C=C\CC)\N=C\C
InChIInChI=1S/C9H15N/c1-4-7-8-9(5-2)10-6-3/h5-8H,4H2,1-3H3/b8-7-,9-5-,10-6+
InChIKeyDBBJEEPMLZCTOP-HPVYWINVSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2Z,4Z)-hepta-2,4-dien-3-yl]ethanimine 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

(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine
CID 90447928
3-(1-Fluoroethylidene)-2-propylidenepyridine
CID 123855748
N-[(2Z,4Z,6E,8Z)-6-ethenyl-11,11,11-trifluoroundeca-2,4,6,8-tetraen-5-yl]ethanimine
CID 138715311
N-[(3E)-3-fluorohexa-1,3-dien-2-yl]prop-2-en-1-imine
CID 167163288
N-[(3E,5Z)-3-fluoro-7-methylidenenona-1,3,5,8-tetraen-2-yl]ethanimine
CID 169960632
6-methylidene-3H-pyridine
CID 45079589
2-Ethyl pyridyllithium
CID 129677973
N-[1-(2-fluorocyclohepta-1,3,4,6-tetraen-1-yl)ethenyl]ethanimine
CID 142913217
N-[(3Z)-2-(fluoromethyl)hepta-1,3,6-trien-4-yl]ethanimine
CID 144356598
7-propyl-3H-azepine
CID 14610141
N-pent-2-en-3-ylethanimine
CID 20761973
N-(6-propylidenecyclohexa-1,3-dien-1-yl)propan-1-imine
CID 53831115

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-hepta-2,4-dien-3-yl]ethanimine?
The IUPAC name of N-[(2Z,4Z)-hepta-2,4-dien-3-yl]ethanimine (CID 91364199) is N-[(2Z,4Z)-hepta-2,4-dien-3-yl]ethanimine.
What is the SMILES notation for N-[(2Z,4Z)-hepta-2,4-dien-3-yl]ethanimine?
The canonical SMILES for N-[(2Z,4Z)-hepta-2,4-dien-3-yl]ethanimine is C/C=C(/C=C\CC)\N=C\C.
What is the InChIKey of N-[(2Z,4Z)-hepta-2,4-dien-3-yl]ethanimine?
The InChIKey is DBBJEEPMLZCTOP-HPVYWINVSA-N. The full InChI is InChI=1S/C9H15N/c1-4-7-8-9(5-2)10-6-3/h5-8H,4H2,1-3H3/b8-7-,9-5-,10-6+.
What are the key properties of N-[(2Z,4Z)-hepta-2,4-dien-3-yl]ethanimine?
N-[(2Z,4Z)-hepta-2,4-dien-3-yl]ethanimine has a molecular weight of 137.23 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-hepta-2,4-dien-3-yl]ethanimine is sourced from PubChem (CID 91364199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).