6-cyclohept-4-en-1-ylidene-N-methylcyclohex-3-en-1-imine

C14H19N — CID 90732822

IUPAC6-cyclohept-4-en-1-ylidene-N-methylcyclohex-3-en-1-imine
SMILESC/N=C1\CC=CCC1=C1CCC=CCC1
InChIInChI=1S/C14H19N/c1-15-14-11-7-6-10-13(14)12-8-4-2-3-5-9-12/h2-3,6-7H,4-5,8-11H2,1H3/b15-14+
InChIKeyGARIHOLMANZNHP-CCEZHUSRSA-N
MW201.31 g/mol
LogP3.83
Rot. Bonds

About 6-cyclohept-4-en-1-ylidene-N-methylcyclohex-3-en-1-imine

6-cyclohept-4-en-1-ylidene-N-methylcyclohex-3-en-1-imine (PubChem CID 90732822) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 6-cyclohept-4-en-1-ylidene-N-methylcyclohex-3-en-1-imine.

Molecular Properties

Compound Name6-cyclohept-4-en-1-ylidene-N-methylcyclohex-3-en-1-imine
PubChem CID90732822
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name6-cyclohept-4-en-1-ylidene-N-methylcyclohex-3-en-1-imine
SMILESC/N=C1\CC=CCC1=C1CCC=CCC1
InChIInChI=1S/C14H19N/c1-15-14-11-7-6-10-13(14)12-8-4-2-3-5-9-12/h2-3,6-7H,4-5,8-11H2,1H3/b15-14+
InChIKeyGARIHOLMANZNHP-CCEZHUSRSA-N
XLogP3.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohept-4-en-1-ylidene-N-methylcyclohex-3-en-1-imine?
The IUPAC name of 6-cyclohept-4-en-1-ylidene-N-methylcyclohex-3-en-1-imine (CID 90732822) is 6-cyclohept-4-en-1-ylidene-N-methylcyclohex-3-en-1-imine.
What is the SMILES notation for 6-cyclohept-4-en-1-ylidene-N-methylcyclohex-3-en-1-imine?
The canonical SMILES for 6-cyclohept-4-en-1-ylidene-N-methylcyclohex-3-en-1-imine is C/N=C1\CC=CCC1=C1CCC=CCC1.
What is the InChIKey of 6-cyclohept-4-en-1-ylidene-N-methylcyclohex-3-en-1-imine?
The InChIKey is GARIHOLMANZNHP-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H19N/c1-15-14-11-7-6-10-13(14)12-8-4-2-3-5-9-12/h2-3,6-7H,4-5,8-11H2,1H3/b15-14+.
What are the key properties of 6-cyclohept-4-en-1-ylidene-N-methylcyclohex-3-en-1-imine?
6-cyclohept-4-en-1-ylidene-N-methylcyclohex-3-en-1-imine has a molecular weight of 201.31 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohept-4-en-1-ylidene-N-methylcyclohex-3-en-1-imine is sourced from PubChem (CID 90732822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).