1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[1-(3-methylphenyl)ethyl]methanimine

C18H23N — CID 139781934

IUPAC1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[1-(3-methylphenyl)ethyl]methanimine
SMILESCC1=CC=CC(C)(/C=N/C(C)c2cccc(C)c2)C1
InChIInChI=1S/C18H23N/c1-14-7-5-9-17(11-14)16(3)19-13-18(4)10-6-8-15(2)12-18/h5-11,13,16H,12H2,1-4H3/b19-13+
InChIKeyLRIRVTLTSCFRGK-CPNJWEJPSA-N
MW253.39 g/mol
LogP5.04
Rot. Bonds3

About 1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[1-(3-methylphenyl)ethyl]methanimine

1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[1-(3-methylphenyl)ethyl]methanimine (PubChem CID 139781934) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[1-(3-methylphenyl)ethyl]methanimine.

Molecular Properties

Compound Name1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[1-(3-methylphenyl)ethyl]methanimine
PubChem CID139781934
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[1-(3-methylphenyl)ethyl]methanimine
SMILESCC1=CC=CC(C)(/C=N/C(C)c2cccc(C)c2)C1
InChIInChI=1S/C18H23N/c1-14-7-5-9-17(11-14)16(3)19-13-18(4)10-6-8-15(2)12-18/h5-11,13,16H,12H2,1-4H3/b19-13+
InChIKeyLRIRVTLTSCFRGK-CPNJWEJPSA-N
XLogP5.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.04
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-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[1-(3-methylphenyl)ethyl]methanimine?
The IUPAC name of 1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[1-(3-methylphenyl)ethyl]methanimine (CID 139781934) is 1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[1-(3-methylphenyl)ethyl]methanimine.
What is the SMILES notation for 1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[1-(3-methylphenyl)ethyl]methanimine?
The canonical SMILES for 1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[1-(3-methylphenyl)ethyl]methanimine is CC1=CC=CC(C)(/C=N/C(C)c2cccc(C)c2)C1.
What is the InChIKey of 1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[1-(3-methylphenyl)ethyl]methanimine?
The InChIKey is LRIRVTLTSCFRGK-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H23N/c1-14-7-5-9-17(11-14)16(3)19-13-18(4)10-6-8-15(2)12-18/h5-11,13,16H,12H2,1-4H3/b19-13+.
What are the key properties of 1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[1-(3-methylphenyl)ethyl]methanimine?
1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[1-(3-methylphenyl)ethyl]methanimine has a molecular weight of 253.39 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[1-(3-methylphenyl)ethyl]methanimine is sourced from PubChem (CID 139781934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).