1-(1-methylcyclohexa-2,4-dien-1-yl)-N-(1-phenylethyl)methanimine

C16H19N — CID 67642916

IUPAC1-(1-methylcyclohexa-2,4-dien-1-yl)-N-(1-phenylethyl)methanimine
SMILESCC(/N=C/C1(C)C=CC=CC1)c1ccccc1
InChIInChI=1S/C16H19N/c1-14(15-9-5-3-6-10-15)17-13-16(2)11-7-4-8-12-16/h3-11,13-14H,12H2,1-2H3/b17-13+
InChIKeyIBNDLNVGUDFNIS-GHRIWEEISA-N
MW225.33 g/mol
LogP4.34
Rot. Bonds3

About 1-(1-methylcyclohexa-2,4-dien-1-yl)-N-(1-phenylethyl)methanimine

1-(1-methylcyclohexa-2,4-dien-1-yl)-N-(1-phenylethyl)methanimine (PubChem CID 67642916) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(1-methylcyclohexa-2,4-dien-1-yl)-N-(1-phenylethyl)methanimine.

Molecular Properties

Compound Name1-(1-methylcyclohexa-2,4-dien-1-yl)-N-(1-phenylethyl)methanimine
PubChem CID67642916
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name1-(1-methylcyclohexa-2,4-dien-1-yl)-N-(1-phenylethyl)methanimine
SMILESCC(/N=C/C1(C)C=CC=CC1)c1ccccc1
InChIInChI=1S/C16H19N/c1-14(15-9-5-3-6-10-15)17-13-16(2)11-7-4-8-12-16/h3-11,13-14H,12H2,1-2H3/b17-13+
InChIKeyIBNDLNVGUDFNIS-GHRIWEEISA-N
XLogP4.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 54.34
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-methylcyclohexa-2,4-dien-1-yl)-N-(1-phenylethyl)methanimine?
The IUPAC name of 1-(1-methylcyclohexa-2,4-dien-1-yl)-N-(1-phenylethyl)methanimine (CID 67642916) is 1-(1-methylcyclohexa-2,4-dien-1-yl)-N-(1-phenylethyl)methanimine.
What is the SMILES notation for 1-(1-methylcyclohexa-2,4-dien-1-yl)-N-(1-phenylethyl)methanimine?
The canonical SMILES for 1-(1-methylcyclohexa-2,4-dien-1-yl)-N-(1-phenylethyl)methanimine is CC(/N=C/C1(C)C=CC=CC1)c1ccccc1.
What is the InChIKey of 1-(1-methylcyclohexa-2,4-dien-1-yl)-N-(1-phenylethyl)methanimine?
The InChIKey is IBNDLNVGUDFNIS-GHRIWEEISA-N. The full InChI is InChI=1S/C16H19N/c1-14(15-9-5-3-6-10-15)17-13-16(2)11-7-4-8-12-16/h3-11,13-14H,12H2,1-2H3/b17-13+.
What are the key properties of 1-(1-methylcyclohexa-2,4-dien-1-yl)-N-(1-phenylethyl)methanimine?
1-(1-methylcyclohexa-2,4-dien-1-yl)-N-(1-phenylethyl)methanimine has a molecular weight of 225.33 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexa-2,4-dien-1-yl)-N-(1-phenylethyl)methanimine is sourced from PubChem (CID 67642916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).