N-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine

C23H27N — CID 15654018

IUPACN-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
SMILESCC12CCC(C/C1=N\C(c1ccccc1)c1ccccc1)C2(C)C
InChIInChI=1S/C23H27N/c1-22(2)19-14-15-23(22,3)20(16-19)24-21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19,21H,14-16H2,1-3H3/b24-20+
InChIKeyOQCIMRNWZSLQAF-HIXSDJFHSA-N
MW317.48 g/mol
LogP6.06
Rot. Bonds3

About N-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine

N-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine (PubChem CID 15654018) has the molecular formula C23H27N and a molecular weight of 317.48 g/mol. Its IUPAC name is N-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine.

Molecular Properties

Compound NameN-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
PubChem CID15654018
Molecular FormulaC23H27N
Molecular Weight317.48 g/mol
Exact Mass317.21
IUPAC NameN-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
SMILESCC12CCC(C/C1=N\C(c1ccccc1)c1ccccc1)C2(C)C
InChIInChI=1S/C23H27N/c1-22(2)19-14-15-23(22,3)20(16-19)24-21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19,21H,14-16H2,1-3H3/b24-20+
InChIKeyOQCIMRNWZSLQAF-HIXSDJFHSA-N
XLogP6.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.48
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline
CID 9879368
N-benzhydryl-1-cyclohexylmethanimine
CID 10826411
Phenyl-N-[(2E)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene]methanamine
CID 12392066
N-(diphenylmethyl)-1-phenylethan-1-imine
CID 12878585
N-cyclohexylidene-N-(diphenylmethyl)amine
CID 21325876
2,3,5-triphenyl-3,4-dihydro-2H-pyrrole
CID 23596444
N-benzhydryl-2-methyl-2-phenylpropan-1-imine
CID 67052820
N-benzhydryl-1-(1-methylcyclohexyl)methanimine
CID 67052830
(2R)-5-Ethyl-2-methyl-4,4-diphenyl-3,4-dihydro-2H-pyrrole
CID 69492930
phenyl-N-[(1E)-2-phenylcyclohexylidene]methanamine
CID 69616221
2-(4-cyclohexylphenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
CID 58915234
2-(4-tert-butylphenyl)-5-(2-fluorophenyl)-3,4-dihydro-2H-pyrrole
CID 58915256

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
The IUPAC name of N-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine (CID 15654018) is N-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine.
What is the SMILES notation for N-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
The canonical SMILES for N-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine is CC12CCC(C/C1=N\C(c1ccccc1)c1ccccc1)C2(C)C.
What is the InChIKey of N-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
The InChIKey is OQCIMRNWZSLQAF-HIXSDJFHSA-N. The full InChI is InChI=1S/C23H27N/c1-22(2)19-14-15-23(22,3)20(16-19)24-21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19,21H,14-16H2,1-3H3/b24-20+.
What are the key properties of N-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
N-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine has a molecular weight of 317.48 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine is sourced from PubChem (CID 15654018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).