(3Z)-N-methylhepta-3,5-dien-2-imine

C8H13N — CID 123597662

IUPAC(3Z)-N-methylhepta-3,5-dien-2-imine
SMILESCC=C/C=C\C(C)=N\C
InChIInChI=1S/C8H13N/c1-4-5-6-7-8(2)9-3/h4-7H,1-3H3/b5-4?,7-6-,9-8+
InChIKeyVKAQIQMBKNDRLA-QOIQCSDNSA-N
MW123.20 g/mol
LogP2.21
Rot. Bonds2

About (3Z)-N-methylhepta-3,5-dien-2-imine

(3Z)-N-methylhepta-3,5-dien-2-imine (PubChem CID 123597662) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (3Z)-N-methylhepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z)-N-methylhepta-3,5-dien-2-imine
PubChem CID123597662
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(3Z)-N-methylhepta-3,5-dien-2-imine
SMILESCC=C/C=C\C(C)=N\C
InChIInChI=1S/C8H13N/c1-4-5-6-7-8(2)9-3/h4-7H,1-3H3/b5-4?,7-6-,9-8+
InChIKeyVKAQIQMBKNDRLA-QOIQCSDNSA-N
XLogP2.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

(2S)-2,7-dimethyl-2H-azepine
CID 21672374
(2R)-2,7-dimethyl-2H-azepine
CID 134989460
Dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 18457916
Dimethyl 1,4-benzoquinone diimine
CID 18730289
(3E)-N-methyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123905830
(3E)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine
CID 130256677
4-fluoro-7-methyl-2H-azepine
CID 131982638
(3Z)-1,1,1-trifluoro-N,5-dimethylhexa-3,5-dien-2-imine
CID 137506692
(3Z)-N-methyl-5-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 141939133
(3Z,5E)-1,1,1-trifluoro-N-methylhepta-3,5-dien-2-imine
CID 142438463
2-Fluoro-2,7-dimethylazepine
CID 144270478
(3Z,5E)-5-fluoro-N-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine
CID 144296874

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-methylhepta-3,5-dien-2-imine?
The IUPAC name of (3Z)-N-methylhepta-3,5-dien-2-imine (CID 123597662) is (3Z)-N-methylhepta-3,5-dien-2-imine.
What is the SMILES notation for (3Z)-N-methylhepta-3,5-dien-2-imine?
The canonical SMILES for (3Z)-N-methylhepta-3,5-dien-2-imine is CC=C/C=C\C(C)=N\C.
What is the InChIKey of (3Z)-N-methylhepta-3,5-dien-2-imine?
The InChIKey is VKAQIQMBKNDRLA-QOIQCSDNSA-N. The full InChI is InChI=1S/C8H13N/c1-4-5-6-7-8(2)9-3/h4-7H,1-3H3/b5-4?,7-6-,9-8+.
What are the key properties of (3Z)-N-methylhepta-3,5-dien-2-imine?
(3Z)-N-methylhepta-3,5-dien-2-imine has a molecular weight of 123.20 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-methylhepta-3,5-dien-2-imine is sourced from PubChem (CID 123597662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).