N-benzhydryl-2,2-dimethylpropan-1-imine;2,2-dimethylpropanal;diphenylmethanamine

C36H44N2O — CID 162213302

IUPACN-benzhydryl-2,2-dimethylpropan-1-imine;2,2-dimethylpropanal;diphenylmethanamine
SMILESCC(C)(C)/C=N/C(c1ccccc1)c1ccccc1.CC(C)(C)C=O.NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21N.C13H13N.C5H10O/c1-18(2,3)14-19-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-5(2,3)4-6/h4-14,17H,1-3H3;1-10,13H,14H2;4H,1-3H3/b19-14+;;
InChIKeyZTDJLFMXJBLIRP-ZWXFCGGNSA-N
MW520.76 g/mol
LogP8.86
Rot. Bonds5

About N-benzhydryl-2,2-dimethylpropan-1-imine;2,2-dimethylpropanal;diphenylmethanamine

N-benzhydryl-2,2-dimethylpropan-1-imine;2,2-dimethylpropanal;diphenylmethanamine (PubChem CID 162213302) has the molecular formula C36H44N2O and a molecular weight of 520.76 g/mol. Its IUPAC name is N-benzhydryl-2,2-dimethylpropan-1-imine;2,2-dimethylpropanal;diphenylmethanamine.

Molecular Properties

Compound NameN-benzhydryl-2,2-dimethylpropan-1-imine;2,2-dimethylpropanal;diphenylmethanamine
PubChem CID162213302
Molecular FormulaC36H44N2O
Molecular Weight520.76 g/mol
Exact Mass520.35
IUPAC NameN-benzhydryl-2,2-dimethylpropan-1-imine;2,2-dimethylpropanal;diphenylmethanamine
SMILESCC(C)(C)/C=N/C(c1ccccc1)c1ccccc1.CC(C)(C)C=O.NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21N.C13H13N.C5H10O/c1-18(2,3)14-19-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-5(2,3)4-6/h4-14,17H,1-3H3;1-10,13H,14H2;4H,1-3H3/b19-14+;;
InChIKeyZTDJLFMXJBLIRP-ZWXFCGGNSA-N
XLogP8.86
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.76
LogP ≤ 58.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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;2,2-dimethylpropanal;diphenylmethanamine?
The IUPAC name of N-benzhydryl-2,2-dimethylpropan-1-imine;2,2-dimethylpropanal;diphenylmethanamine (CID 162213302) is N-benzhydryl-2,2-dimethylpropan-1-imine;2,2-dimethylpropanal;diphenylmethanamine.
What is the SMILES notation for N-benzhydryl-2,2-dimethylpropan-1-imine;2,2-dimethylpropanal;diphenylmethanamine?
The canonical SMILES for N-benzhydryl-2,2-dimethylpropan-1-imine;2,2-dimethylpropanal;diphenylmethanamine is CC(C)(C)/C=N/C(c1ccccc1)c1ccccc1.CC(C)(C)C=O.NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2,2-dimethylpropan-1-imine;2,2-dimethylpropanal;diphenylmethanamine?
The InChIKey is ZTDJLFMXJBLIRP-ZWXFCGGNSA-N. The full InChI is InChI=1S/C18H21N.C13H13N.C5H10O/c1-18(2,3)14-19-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-5(2,3)4-6/h4-14,17H,1-3H3;1-10,13H,14H2;4H,1-3H3/b19-14+;;.
What are the key properties of N-benzhydryl-2,2-dimethylpropan-1-imine;2,2-dimethylpropanal;diphenylmethanamine?
N-benzhydryl-2,2-dimethylpropan-1-imine;2,2-dimethylpropanal;diphenylmethanamine has a molecular weight of 520.76 g/mol, XLogP of 8.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2,2-dimethylpropan-1-imine;2,2-dimethylpropanal;diphenylmethanamine is sourced from PubChem (CID 162213302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).