N-(benzhydrylideneamino)-3,3,5-trimethylcyclohexan-1-imine

C22H26N2 — CID 4637201

IUPACN-(benzhydrylideneamino)-3,3,5-trimethylcyclohexan-1-imine
SMILESCC1CC(=NN=C(c2ccccc2)c2ccccc2)CC(C)(C)C1
InChIInChI=1S/C22H26N2/c1-17-14-20(16-22(2,3)15-17)23-24-21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17H,14-16H2,1-3H3
InChIKeyWVQYMXGVGUESDH-UHFFFAOYSA-N
MW318.46 g/mol
LogP5.73
Rot. Bonds3

About N-(benzhydrylideneamino)-3,3,5-trimethylcyclohexan-1-imine

N-(benzhydrylideneamino)-3,3,5-trimethylcyclohexan-1-imine (PubChem CID 4637201) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-3,3,5-trimethylcyclohexan-1-imine.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-3,3,5-trimethylcyclohexan-1-imine
PubChem CID4637201
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC NameN-(benzhydrylideneamino)-3,3,5-trimethylcyclohexan-1-imine
SMILESCC1CC(=NN=C(c2ccccc2)c2ccccc2)CC(C)(C)C1
InChIInChI=1S/C22H26N2/c1-17-14-20(16-22(2,3)15-17)23-24-21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17H,14-16H2,1-3H3
InChIKeyWVQYMXGVGUESDH-UHFFFAOYSA-N
XLogP5.73
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-3,3,5-trimethylcyclohexan-1-imine?
The IUPAC name of N-(benzhydrylideneamino)-3,3,5-trimethylcyclohexan-1-imine (CID 4637201) is N-(benzhydrylideneamino)-3,3,5-trimethylcyclohexan-1-imine.
What is the SMILES notation for N-(benzhydrylideneamino)-3,3,5-trimethylcyclohexan-1-imine?
The canonical SMILES for N-(benzhydrylideneamino)-3,3,5-trimethylcyclohexan-1-imine is CC1CC(=NN=C(c2ccccc2)c2ccccc2)CC(C)(C)C1.
What is the InChIKey of N-(benzhydrylideneamino)-3,3,5-trimethylcyclohexan-1-imine?
The InChIKey is WVQYMXGVGUESDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2/c1-17-14-20(16-22(2,3)15-17)23-24-21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17H,14-16H2,1-3H3.
What are the key properties of N-(benzhydrylideneamino)-3,3,5-trimethylcyclohexan-1-imine?
N-(benzhydrylideneamino)-3,3,5-trimethylcyclohexan-1-imine has a molecular weight of 318.46 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-3,3,5-trimethylcyclohexan-1-imine is sourced from PubChem (CID 4637201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).