1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N-[2-(4-methylphenyl)propan-2-yl]methanimine

C19H25N — CID 139781911

IUPAC1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N-[2-(4-methylphenyl)propan-2-yl]methanimine
SMILESCC1=CCC(C)(/C=N/C(C)(C)c2ccc(C)cc2)C=C1
InChIInChI=1S/C19H25N/c1-15-6-8-17(9-7-15)18(3,4)20-14-19(5)12-10-16(2)11-13-19/h6-12,14H,13H2,1-5H3/b20-14+
InChIKeyOXVOWKYCSVHJIO-XSFVSMFZSA-N
MW267.42 g/mol
LogP5.21
Rot. Bonds3

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

1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N-[2-(4-methylphenyl)propan-2-yl]methanimine (PubChem CID 139781911) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N-[2-(4-methylphenyl)propan-2-yl]methanimine.

Molecular Properties

Compound Name1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N-[2-(4-methylphenyl)propan-2-yl]methanimine
PubChem CID139781911
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N-[2-(4-methylphenyl)propan-2-yl]methanimine
SMILESCC1=CCC(C)(/C=N/C(C)(C)c2ccc(C)cc2)C=C1
InChIInChI=1S/C19H25N/c1-15-6-8-17(9-7-15)18(3,4)20-14-19(5)12-10-16(2)11-13-19/h6-12,14H,13H2,1-5H3/b20-14+
InChIKeyOXVOWKYCSVHJIO-XSFVSMFZSA-N
XLogP5.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.21
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-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N-[2-(4-methylphenyl)propan-2-yl]methanimine?
The IUPAC name of 1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N-[2-(4-methylphenyl)propan-2-yl]methanimine (CID 139781911) is 1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N-[2-(4-methylphenyl)propan-2-yl]methanimine.
What is the SMILES notation for 1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N-[2-(4-methylphenyl)propan-2-yl]methanimine?
The canonical SMILES for 1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N-[2-(4-methylphenyl)propan-2-yl]methanimine is CC1=CCC(C)(/C=N/C(C)(C)c2ccc(C)cc2)C=C1.
What is the InChIKey of 1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N-[2-(4-methylphenyl)propan-2-yl]methanimine?
The InChIKey is OXVOWKYCSVHJIO-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H25N/c1-15-6-8-17(9-7-15)18(3,4)20-14-19(5)12-10-16(2)11-13-19/h6-12,14H,13H2,1-5H3/b20-14+.
What are the key properties of 1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N-[2-(4-methylphenyl)propan-2-yl]methanimine?
1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N-[2-(4-methylphenyl)propan-2-yl]methanimine has a molecular weight of 267.42 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N-[2-(4-methylphenyl)propan-2-yl]methanimine is sourced from PubChem (CID 139781911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).