N-benzhydryl-1-(1-methylcyclohexyl)methanimine

C21H25N — CID 67052830

IUPACN-benzhydryl-1-(1-methylcyclohexyl)methanimine
SMILESCC1(/C=N/C(c2ccccc2)c2ccccc2)CCCCC1
InChIInChI=1S/C21H25N/c1-21(15-9-4-10-16-21)17-22-20(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-3,5-8,11-14,17,20H,4,9-10,15-16H2,1H3/b22-17+
InChIKeyCUZLMFRMLVZGLD-OQKWZONESA-N
MW291.44 g/mol
LogP5.82
Rot. Bonds4

About N-benzhydryl-1-(1-methylcyclohexyl)methanimine

N-benzhydryl-1-(1-methylcyclohexyl)methanimine (PubChem CID 67052830) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is N-benzhydryl-1-(1-methylcyclohexyl)methanimine.

Molecular Properties

Compound NameN-benzhydryl-1-(1-methylcyclohexyl)methanimine
PubChem CID67052830
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC NameN-benzhydryl-1-(1-methylcyclohexyl)methanimine
SMILESCC1(/C=N/C(c2ccccc2)c2ccccc2)CCCCC1
InChIInChI=1S/C21H25N/c1-21(15-9-4-10-16-21)17-22-20(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-3,5-8,11-14,17,20H,4,9-10,15-16H2,1H3/b22-17+
InChIKeyCUZLMFRMLVZGLD-OQKWZONESA-N
XLogP5.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 55.82
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 N-benzhydryl-1-(1-methylcyclohexyl)methanimine?
The IUPAC name of N-benzhydryl-1-(1-methylcyclohexyl)methanimine (CID 67052830) is N-benzhydryl-1-(1-methylcyclohexyl)methanimine.
What is the SMILES notation for N-benzhydryl-1-(1-methylcyclohexyl)methanimine?
The canonical SMILES for N-benzhydryl-1-(1-methylcyclohexyl)methanimine is CC1(/C=N/C(c2ccccc2)c2ccccc2)CCCCC1.
What is the InChIKey of N-benzhydryl-1-(1-methylcyclohexyl)methanimine?
The InChIKey is CUZLMFRMLVZGLD-OQKWZONESA-N. The full InChI is InChI=1S/C21H25N/c1-21(15-9-4-10-16-21)17-22-20(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-3,5-8,11-14,17,20H,4,9-10,15-16H2,1H3/b22-17+.
What are the key properties of N-benzhydryl-1-(1-methylcyclohexyl)methanimine?
N-benzhydryl-1-(1-methylcyclohexyl)methanimine has a molecular weight of 291.44 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-(1-methylcyclohexyl)methanimine is sourced from PubChem (CID 67052830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).