N-benzhydryl-2,2-dimethylpropan-1-imine

C18H21N — CID 10729452

IUPACN-benzhydryl-2,2-dimethylpropan-1-imine
SMILESCC(C)(C)/C=N/C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21N/c1-18(2,3)14-19-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,17H,1-3H3/b19-14+
InChIKeyMJTYSEORGADJSX-XMHGGMMESA-N
MW251.37 g/mol
LogP4.89
Rot. Bonds3

About N-benzhydryl-2,2-dimethylpropan-1-imine

N-benzhydryl-2,2-dimethylpropan-1-imine (PubChem CID 10729452) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N-benzhydryl-2,2-dimethylpropan-1-imine.

Molecular Properties

Compound NameN-benzhydryl-2,2-dimethylpropan-1-imine
PubChem CID10729452
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN-benzhydryl-2,2-dimethylpropan-1-imine
SMILESCC(C)(C)/C=N/C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21N/c1-18(2,3)14-19-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,17H,1-3H3/b19-14+
InChIKeyMJTYSEORGADJSX-XMHGGMMESA-N
XLogP4.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.89
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-2,2-dimethylpropan-1-imine?
The IUPAC name of N-benzhydryl-2,2-dimethylpropan-1-imine (CID 10729452) is N-benzhydryl-2,2-dimethylpropan-1-imine.
What is the SMILES notation for N-benzhydryl-2,2-dimethylpropan-1-imine?
The canonical SMILES for N-benzhydryl-2,2-dimethylpropan-1-imine is CC(C)(C)/C=N/C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2,2-dimethylpropan-1-imine?
The InChIKey is MJTYSEORGADJSX-XMHGGMMESA-N. The full InChI is InChI=1S/C18H21N/c1-18(2,3)14-19-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,17H,1-3H3/b19-14+.
What are the key properties of N-benzhydryl-2,2-dimethylpropan-1-imine?
N-benzhydryl-2,2-dimethylpropan-1-imine has a molecular weight of 251.37 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2,2-dimethylpropan-1-imine is sourced from PubChem (CID 10729452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).