(4Z)-N-methylhepta-4,6-dien-3-imine

C8H13N — CID 123648540

IUPAC(4Z)-N-methylhepta-4,6-dien-3-imine
SMILESC=C/C=C\C(CC)=N\C
InChIInChI=1S/C8H13N/c1-4-6-7-8(5-2)9-3/h4,6-7H,1,5H2,2-3H3/b7-6-,9-8+
InChIKeyZNAXQJKPXCKMKS-NMMTYZSQSA-N
MW123.20 g/mol
LogP2.21
Rot. Bonds3

About (4Z)-N-methylhepta-4,6-dien-3-imine

(4Z)-N-methylhepta-4,6-dien-3-imine (PubChem CID 123648540) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (4Z)-N-methylhepta-4,6-dien-3-imine.

Molecular Properties

Compound Name(4Z)-N-methylhepta-4,6-dien-3-imine
PubChem CID123648540
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(4Z)-N-methylhepta-4,6-dien-3-imine
SMILESC=C/C=C\C(CC)=N\C
InChIInChI=1S/C8H13N/c1-4-6-7-8(5-2)9-3/h4,6-7H,1,5H2,2-3H3/b7-6-,9-8+
InChIKeyZNAXQJKPXCKMKS-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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 6444364
2,2-Dimethyl-2H-benzimidazole
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(2S)-2,7-dimethyl-2H-azepine
CID 21672374
(2R)-2,7-dimethyl-2H-azepine
CID 134989460
2,7-dimethyl-3H-azepine
CID 21672375
6-Ethyl-2,3-dihydropyridine
CID 58693567
2-fluoro-N-prop-2-enylcyclohexa-2,4-dien-1-imine
CID 67831161
N-tert-butyl-6-fluorocyclohexa-2,4-dien-1-imine
CID 69577422
N-tert-butyl-2-fluorocyclohexa-2,4-dien-1-imine
CID 69577423
4-fluoro-N-methylcyclohepta-2,6-dien-1-imine
CID 91613012
(Z)-6-fluoro-N-methylhex-4-en-3-imine
CID 123508641
1-[(4E,6Z)-5-fluorocycloocta-1,4,6-trien-1-yl]-N-methylethanimine
CID 129215964

Frequently Asked Questions

What is the IUPAC name of (4Z)-N-methylhepta-4,6-dien-3-imine?
The IUPAC name of (4Z)-N-methylhepta-4,6-dien-3-imine (CID 123648540) is (4Z)-N-methylhepta-4,6-dien-3-imine.
What is the SMILES notation for (4Z)-N-methylhepta-4,6-dien-3-imine?
The canonical SMILES for (4Z)-N-methylhepta-4,6-dien-3-imine is C=C/C=C\C(CC)=N\C.
What is the InChIKey of (4Z)-N-methylhepta-4,6-dien-3-imine?
The InChIKey is ZNAXQJKPXCKMKS-NMMTYZSQSA-N. The full InChI is InChI=1S/C8H13N/c1-4-6-7-8(5-2)9-3/h4,6-7H,1,5H2,2-3H3/b7-6-,9-8+.
What are the key properties of (4Z)-N-methylhepta-4,6-dien-3-imine?
(4Z)-N-methylhepta-4,6-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-4,6-dien-3-imine is sourced from PubChem (CID 123648540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).