1-cyclohexa-1,5-dien-1-yl-N-methyl-1-phenylmethanimine

C14H15N — CID 142890408

IUPAC1-cyclohexa-1,5-dien-1-yl-N-methyl-1-phenylmethanimine
SMILESC/N=C(/C1=CCCC=C1)c1ccccc1
InChIInChI=1S/C14H15N/c1-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-6,8-11H,3,7H2,1H3/b15-14+
InChIKeyVSFGLSUZOFGXFH-CCEZHUSRSA-N
MW197.28 g/mol
LogP3.38
Rot. Bonds2

About 1-cyclohexa-1,5-dien-1-yl-N-methyl-1-phenylmethanimine

1-cyclohexa-1,5-dien-1-yl-N-methyl-1-phenylmethanimine (PubChem CID 142890408) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-N-methyl-1-phenylmethanimine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-N-methyl-1-phenylmethanimine
PubChem CID142890408
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name1-cyclohexa-1,5-dien-1-yl-N-methyl-1-phenylmethanimine
SMILESC/N=C(/C1=CCCC=C1)c1ccccc1
InChIInChI=1S/C14H15N/c1-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-6,8-11H,3,7H2,1H3/b15-14+
InChIKeyVSFGLSUZOFGXFH-CCEZHUSRSA-N
XLogP3.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.38
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-cyclohexa-1,5-dien-1-yl-N-methyl-1-phenylmethanimine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-N-methyl-1-phenylmethanimine (CID 142890408) is 1-cyclohexa-1,5-dien-1-yl-N-methyl-1-phenylmethanimine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-N-methyl-1-phenylmethanimine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-N-methyl-1-phenylmethanimine is C/N=C(/C1=CCCC=C1)c1ccccc1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-N-methyl-1-phenylmethanimine?
The InChIKey is VSFGLSUZOFGXFH-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H15N/c1-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-6,8-11H,3,7H2,1H3/b15-14+.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-N-methyl-1-phenylmethanimine?
1-cyclohexa-1,5-dien-1-yl-N-methyl-1-phenylmethanimine has a molecular weight of 197.28 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-N-methyl-1-phenylmethanimine is sourced from PubChem (CID 142890408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).