1,1,1-triphenyl-N-(propan-2-ylideneamino)methanamine

C22H22N2 — CID 13215889

IUPAC1,1,1-triphenyl-N-(propan-2-ylideneamino)methanamine
SMILESCC(C)=NNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N2/c1-18(2)23-24-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,24H,1-2H3
InChIKeyHJOXNPRKUKPYQT-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.96
Rot. Bonds5

About 1,1,1-triphenyl-N-(propan-2-ylideneamino)methanamine

1,1,1-triphenyl-N-(propan-2-ylideneamino)methanamine (PubChem CID 13215889) has the molecular formula C22H22N2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1,1,1-triphenyl-N-(propan-2-ylideneamino)methanamine.

Molecular Properties

Compound Name1,1,1-triphenyl-N-(propan-2-ylideneamino)methanamine
PubChem CID13215889
Molecular FormulaC22H22N2
Molecular Weight314.43 g/mol
Exact Mass314.18
IUPAC Name1,1,1-triphenyl-N-(propan-2-ylideneamino)methanamine
SMILESCC(C)=NNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N2/c1-18(2)23-24-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,24H,1-2H3
InChIKeyHJOXNPRKUKPYQT-UHFFFAOYSA-N
XLogP4.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.96
H-Bond Donors ≤ 51
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1,1,1-triphenyl-N-(propan-2-ylideneamino)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-triphenyl-N-(propan-2-ylideneamino)methanamine?
The IUPAC name of 1,1,1-triphenyl-N-(propan-2-ylideneamino)methanamine (CID 13215889) is 1,1,1-triphenyl-N-(propan-2-ylideneamino)methanamine.
What is the SMILES notation for 1,1,1-triphenyl-N-(propan-2-ylideneamino)methanamine?
The canonical SMILES for 1,1,1-triphenyl-N-(propan-2-ylideneamino)methanamine is CC(C)=NNC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1,1-triphenyl-N-(propan-2-ylideneamino)methanamine?
The InChIKey is HJOXNPRKUKPYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2/c1-18(2)23-24-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,24H,1-2H3.
What are the key properties of 1,1,1-triphenyl-N-(propan-2-ylideneamino)methanamine?
1,1,1-triphenyl-N-(propan-2-ylideneamino)methanamine has a molecular weight of 314.43 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-triphenyl-N-(propan-2-ylideneamino)methanamine is sourced from PubChem (CID 13215889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).