1-cyclohexa-1,3-dien-1-yl-N-hepta-1,3-dien-4-ylmethanimine

C14H19N — CID 91342502

IUPAC1-cyclohexa-1,3-dien-1-yl-N-hepta-1,3-dien-4-ylmethanimine
SMILESC=CC=C(CCC)/N=C/C1=CC=CCC1
InChIInChI=1S/C14H19N/c1-3-8-14(9-4-2)15-12-13-10-6-5-7-11-13/h3,5-6,8,10,12H,1,4,7,9,11H2,2H3/b14-8?,15-12+
InChIKeyLMHQMFZLWIHRNY-SRUOAYRISA-N
MW201.31 g/mol
LogP4.20
Rot. Bonds5

About 1-cyclohexa-1,3-dien-1-yl-N-hepta-1,3-dien-4-ylmethanimine

1-cyclohexa-1,3-dien-1-yl-N-hepta-1,3-dien-4-ylmethanimine (PubChem CID 91342502) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-N-hepta-1,3-dien-4-ylmethanimine.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-N-hepta-1,3-dien-4-ylmethanimine
PubChem CID91342502
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-cyclohexa-1,3-dien-1-yl-N-hepta-1,3-dien-4-ylmethanimine
SMILESC=CC=C(CCC)/N=C/C1=CC=CCC1
InChIInChI=1S/C14H19N/c1-3-8-14(9-4-2)15-12-13-10-6-5-7-11-13/h3,5-6,8,10,12H,1,4,7,9,11H2,2H3/b14-8?,15-12+
InChIKeyLMHQMFZLWIHRNY-SRUOAYRISA-N
XLogP4.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.20
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 94356
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3-Propylcyclopenta[c]pyrrole
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N-(6-propylidenecyclohexa-1,3-dien-1-yl)propan-1-imine
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3-methylidene-5H-quinolin-5-ide
CID 57819672
2-tert-butyl-5-methylidene-4H-pyridine
CID 58468592
3-methyl-8H-isoquinolin-8-ide;yttrium
CID 59098037
3-methyl-5H-isoquinolin-5-ide;yttrium
CID 59098050

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-N-hepta-1,3-dien-4-ylmethanimine?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-N-hepta-1,3-dien-4-ylmethanimine (CID 91342502) is 1-cyclohexa-1,3-dien-1-yl-N-hepta-1,3-dien-4-ylmethanimine.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-N-hepta-1,3-dien-4-ylmethanimine?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-N-hepta-1,3-dien-4-ylmethanimine is C=CC=C(CCC)/N=C/C1=CC=CCC1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-N-hepta-1,3-dien-4-ylmethanimine?
The InChIKey is LMHQMFZLWIHRNY-SRUOAYRISA-N. The full InChI is InChI=1S/C14H19N/c1-3-8-14(9-4-2)15-12-13-10-6-5-7-11-13/h3,5-6,8,10,12H,1,4,7,9,11H2,2H3/b14-8?,15-12+.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-N-hepta-1,3-dien-4-ylmethanimine?
1-cyclohexa-1,3-dien-1-yl-N-hepta-1,3-dien-4-ylmethanimine has a molecular weight of 201.31 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-N-hepta-1,3-dien-4-ylmethanimine is sourced from PubChem (CID 91342502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).