(4Z)-N-methylhepta-1,4-dien-3-imine

C8H13N — CID 123915846

IUPAC(4Z)-N-methylhepta-1,4-dien-3-imine
SMILESC=CC(/C=C\CC)=N\C
InChIInChI=1S/C8H13N/c1-4-6-7-8(5-2)9-3/h5-7H,2,4H2,1,3H3/b7-6-,9-8+
InChIKeyWSOOHJNXIRUCNN-NMMTYZSQSA-N
MW123.20 g/mol
LogP2.21
Rot. Bonds3

About (4Z)-N-methylhepta-1,4-dien-3-imine

(4Z)-N-methylhepta-1,4-dien-3-imine (PubChem CID 123915846) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (4Z)-N-methylhepta-1,4-dien-3-imine.

Molecular Properties

Compound Name(4Z)-N-methylhepta-1,4-dien-3-imine
PubChem CID123915846
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(4Z)-N-methylhepta-1,4-dien-3-imine
SMILESC=CC(/C=C\CC)=N\C
InChIInChI=1S/C8H13N/c1-4-6-7-8(5-2)9-3/h5-7H,2,4H2,1,3H3/b7-6-,9-8+
InChIKeyWSOOHJNXIRUCNN-NMMTYZSQSA-N
XLogP2.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4Z)-N-methylhepta-1,4-dien-3-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

5-methyl-2H-pyrrole
CID 12554804
Dimethyl 1,4-benzoquinone diimine
CID 18730289
2,5-Dimethyl-2H-pyrrole
CID 21811124
3Hlutidine
CID 54235887
6-Ethyl-2,3-dihydropyridine
CID 58693567
3-Fluoro-6-methyl-2,3-dihydropyridine
CID 89932263
4-fluoro-N-methylcyclohepta-2,6-dien-1-imine
CID 91613012
1,1,1-trifluoro-N-methylhex-3-en-2-imine
CID 123164940
(Z)-6-fluoro-N-methylhex-4-en-3-imine
CID 123508641
1,1,1-trifluoro-N-methylpent-3-en-2-imine
CID 123560506
(Z)-1,1-difluoro-N-methylpent-3-en-2-imine
CID 138552264
(Z)-N-methylpent-2-enimidoyl fluoride
CID 139381399

Frequently Asked Questions

What is the IUPAC name of (4Z)-N-methylhepta-1,4-dien-3-imine?
The IUPAC name of (4Z)-N-methylhepta-1,4-dien-3-imine (CID 123915846) is (4Z)-N-methylhepta-1,4-dien-3-imine.
What is the SMILES notation for (4Z)-N-methylhepta-1,4-dien-3-imine?
The canonical SMILES for (4Z)-N-methylhepta-1,4-dien-3-imine is C=CC(/C=C\CC)=N\C.
What is the InChIKey of (4Z)-N-methylhepta-1,4-dien-3-imine?
The InChIKey is WSOOHJNXIRUCNN-NMMTYZSQSA-N. The full InChI is InChI=1S/C8H13N/c1-4-6-7-8(5-2)9-3/h5-7H,2,4H2,1,3H3/b7-6-,9-8+.
What are the key properties of (4Z)-N-methylhepta-1,4-dien-3-imine?
(4Z)-N-methylhepta-1,4-dien-3-imine has a molecular weight of 123.20 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-methylhepta-1,4-dien-3-imine is sourced from PubChem (CID 123915846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).