1-(2,4-dimethylcyclohex-3-en-1-yl)-N-[2-(1-methoxyethyl)phenyl]methanimine

C18H25NO — CID 134315860

IUPAC1-(2,4-dimethylcyclohex-3-en-1-yl)-N-[2-(1-methoxyethyl)phenyl]methanimine
SMILESCOC(C)c1ccccc1/N=C/C1CCC(C)=CC1C
InChIInChI=1S/C18H25NO/c1-13-9-10-16(14(2)11-13)12-19-18-8-6-5-7-17(18)15(3)20-4/h5-8,11-12,14-16H,9-10H2,1-4H3/b19-12+
InChIKeyAHHQPVCCZFULHV-XDHOZWIPSA-N
MW271.40 g/mol
LogP5.09
Rot. Bonds4

About 1-(2,4-dimethylcyclohex-3-en-1-yl)-N-[2-(1-methoxyethyl)phenyl]methanimine

1-(2,4-dimethylcyclohex-3-en-1-yl)-N-[2-(1-methoxyethyl)phenyl]methanimine (PubChem CID 134315860) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(2,4-dimethylcyclohex-3-en-1-yl)-N-[2-(1-methoxyethyl)phenyl]methanimine.

Molecular Properties

Compound Name1-(2,4-dimethylcyclohex-3-en-1-yl)-N-[2-(1-methoxyethyl)phenyl]methanimine
PubChem CID134315860
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-(2,4-dimethylcyclohex-3-en-1-yl)-N-[2-(1-methoxyethyl)phenyl]methanimine
SMILESCOC(C)c1ccccc1/N=C/C1CCC(C)=CC1C
InChIInChI=1S/C18H25NO/c1-13-9-10-16(14(2)11-13)12-19-18-8-6-5-7-17(18)15(3)20-4/h5-8,11-12,14-16H,9-10H2,1-4H3/b19-12+
InChIKeyAHHQPVCCZFULHV-XDHOZWIPSA-N
XLogP5.09
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.40
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(2,4-dimethylcyclohex-3-en-1-yl)-N-[2-(1-methoxyethyl)phenyl]methanimine?
The IUPAC name of 1-(2,4-dimethylcyclohex-3-en-1-yl)-N-[2-(1-methoxyethyl)phenyl]methanimine (CID 134315860) is 1-(2,4-dimethylcyclohex-3-en-1-yl)-N-[2-(1-methoxyethyl)phenyl]methanimine.
What is the SMILES notation for 1-(2,4-dimethylcyclohex-3-en-1-yl)-N-[2-(1-methoxyethyl)phenyl]methanimine?
The canonical SMILES for 1-(2,4-dimethylcyclohex-3-en-1-yl)-N-[2-(1-methoxyethyl)phenyl]methanimine is COC(C)c1ccccc1/N=C/C1CCC(C)=CC1C.
What is the InChIKey of 1-(2,4-dimethylcyclohex-3-en-1-yl)-N-[2-(1-methoxyethyl)phenyl]methanimine?
The InChIKey is AHHQPVCCZFULHV-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H25NO/c1-13-9-10-16(14(2)11-13)12-19-18-8-6-5-7-17(18)15(3)20-4/h5-8,11-12,14-16H,9-10H2,1-4H3/b19-12+.
What are the key properties of 1-(2,4-dimethylcyclohex-3-en-1-yl)-N-[2-(1-methoxyethyl)phenyl]methanimine?
1-(2,4-dimethylcyclohex-3-en-1-yl)-N-[2-(1-methoxyethyl)phenyl]methanimine has a molecular weight of 271.40 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylcyclohex-3-en-1-yl)-N-[2-(1-methoxyethyl)phenyl]methanimine is sourced from PubChem (CID 134315860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).