1-(4-cyclohexa-1,3-dien-1-yl-2,6-dimethyl-2-bicyclo[3.2.0]hept-3-enyl)-N-methylmethanimine

C17H23N — CID 71054026

IUPAC1-(4-cyclohexa-1,3-dien-1-yl-2,6-dimethyl-2-bicyclo[3.2.0]hept-3-enyl)-N-methylmethanimine
SMILESC/N=C/C1(C)C=C(C2=CC=CCC2)C2C(C)CC21
InChIInChI=1S/C17H23N/c1-12-9-15-16(12)14(10-17(15,2)11-18-3)13-7-5-4-6-8-13/h4-5,7,10-12,15-16H,6,8-9H2,1-3H3/b18-11+
InChIKeyAIJCGNOOUFEBCK-WOJGMQOQSA-N
MW241.38 g/mol
LogP4.18
Rot. Bonds2

About 1-(4-cyclohexa-1,3-dien-1-yl-2,6-dimethyl-2-bicyclo[3.2.0]hept-3-enyl)-N-methylmethanimine

1-(4-cyclohexa-1,3-dien-1-yl-2,6-dimethyl-2-bicyclo[3.2.0]hept-3-enyl)-N-methylmethanimine (PubChem CID 71054026) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-(4-cyclohexa-1,3-dien-1-yl-2,6-dimethyl-2-bicyclo[3.2.0]hept-3-enyl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(4-cyclohexa-1,3-dien-1-yl-2,6-dimethyl-2-bicyclo[3.2.0]hept-3-enyl)-N-methylmethanimine
PubChem CID71054026
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name1-(4-cyclohexa-1,3-dien-1-yl-2,6-dimethyl-2-bicyclo[3.2.0]hept-3-enyl)-N-methylmethanimine
SMILESC/N=C/C1(C)C=C(C2=CC=CCC2)C2C(C)CC21
InChIInChI=1S/C17H23N/c1-12-9-15-16(12)14(10-17(15,2)11-18-3)13-7-5-4-6-8-13/h4-5,7,10-12,15-16H,6,8-9H2,1-3H3/b18-11+
InChIKeyAIJCGNOOUFEBCK-WOJGMQOQSA-N
XLogP4.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexa-1,3-dien-1-yl-2,6-dimethyl-2-bicyclo[3.2.0]hept-3-enyl)-N-methylmethanimine?
The IUPAC name of 1-(4-cyclohexa-1,3-dien-1-yl-2,6-dimethyl-2-bicyclo[3.2.0]hept-3-enyl)-N-methylmethanimine (CID 71054026) is 1-(4-cyclohexa-1,3-dien-1-yl-2,6-dimethyl-2-bicyclo[3.2.0]hept-3-enyl)-N-methylmethanimine.
What is the SMILES notation for 1-(4-cyclohexa-1,3-dien-1-yl-2,6-dimethyl-2-bicyclo[3.2.0]hept-3-enyl)-N-methylmethanimine?
The canonical SMILES for 1-(4-cyclohexa-1,3-dien-1-yl-2,6-dimethyl-2-bicyclo[3.2.0]hept-3-enyl)-N-methylmethanimine is C/N=C/C1(C)C=C(C2=CC=CCC2)C2C(C)CC21.
What is the InChIKey of 1-(4-cyclohexa-1,3-dien-1-yl-2,6-dimethyl-2-bicyclo[3.2.0]hept-3-enyl)-N-methylmethanimine?
The InChIKey is AIJCGNOOUFEBCK-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H23N/c1-12-9-15-16(12)14(10-17(15,2)11-18-3)13-7-5-4-6-8-13/h4-5,7,10-12,15-16H,6,8-9H2,1-3H3/b18-11+.
What are the key properties of 1-(4-cyclohexa-1,3-dien-1-yl-2,6-dimethyl-2-bicyclo[3.2.0]hept-3-enyl)-N-methylmethanimine?
1-(4-cyclohexa-1,3-dien-1-yl-2,6-dimethyl-2-bicyclo[3.2.0]hept-3-enyl)-N-methylmethanimine has a molecular weight of 241.38 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexa-1,3-dien-1-yl-2,6-dimethyl-2-bicyclo[3.2.0]hept-3-enyl)-N-methylmethanimine is sourced from PubChem (CID 71054026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).