3,5,5-trimethyl-N-phenylcyclohex-2-en-1-imine

C15H19N — CID 101056591

IUPAC3,5,5-trimethyl-N-phenylcyclohex-2-en-1-imine
SMILESCC1=C/C(=N\c2ccccc2)CC(C)(C)C1
InChIInChI=1S/C15H19N/c1-12-9-14(11-15(2,3)10-12)16-13-7-5-4-6-8-13/h4-9H,10-11H2,1-3H3/b16-14+
InChIKeyZYZKJFNREISOEJ-JQIJEIRASA-N
MW213.32 g/mol
LogP4.53
Rot. Bonds1

About 3,5,5-trimethyl-N-phenylcyclohex-2-en-1-imine

3,5,5-trimethyl-N-phenylcyclohex-2-en-1-imine (PubChem CID 101056591) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 3,5,5-trimethyl-N-phenylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name3,5,5-trimethyl-N-phenylcyclohex-2-en-1-imine
PubChem CID101056591
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name3,5,5-trimethyl-N-phenylcyclohex-2-en-1-imine
SMILESCC1=C/C(=N\c2ccccc2)CC(C)(C)C1
InChIInChI=1S/C15H19N/c1-12-9-14(11-15(2,3)10-12)16-13-7-5-4-6-8-13/h4-9H,10-11H2,1-3H3/b16-14+
InChIKeyZYZKJFNREISOEJ-JQIJEIRASA-N
XLogP4.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.53
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 3,5,5-trimethyl-N-phenylcyclohex-2-en-1-imine?
The IUPAC name of 3,5,5-trimethyl-N-phenylcyclohex-2-en-1-imine (CID 101056591) is 3,5,5-trimethyl-N-phenylcyclohex-2-en-1-imine.
What is the SMILES notation for 3,5,5-trimethyl-N-phenylcyclohex-2-en-1-imine?
The canonical SMILES for 3,5,5-trimethyl-N-phenylcyclohex-2-en-1-imine is CC1=C/C(=N\c2ccccc2)CC(C)(C)C1.
What is the InChIKey of 3,5,5-trimethyl-N-phenylcyclohex-2-en-1-imine?
The InChIKey is ZYZKJFNREISOEJ-JQIJEIRASA-N. The full InChI is InChI=1S/C15H19N/c1-12-9-14(11-15(2,3)10-12)16-13-7-5-4-6-8-13/h4-9H,10-11H2,1-3H3/b16-14+.
What are the key properties of 3,5,5-trimethyl-N-phenylcyclohex-2-en-1-imine?
3,5,5-trimethyl-N-phenylcyclohex-2-en-1-imine has a molecular weight of 213.32 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-N-phenylcyclohex-2-en-1-imine is sourced from PubChem (CID 101056591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).