3-(benzhydrylideneamino)propanal

C16H15NO — CID 11447740

IUPAC3-(benzhydrylideneamino)propanal
SMILESO=CCCN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO/c18-13-7-12-17-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,13H,7,12H2
InChIKeyOXXQTXLNRSPSHS-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.11
Rot. Bonds5

About 3-(benzhydrylideneamino)propanal

3-(benzhydrylideneamino)propanal (PubChem CID 11447740) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(benzhydrylideneamino)propanal.

Molecular Properties

Compound Name3-(benzhydrylideneamino)propanal
PubChem CID11447740
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name3-(benzhydrylideneamino)propanal
SMILESO=CCCN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO/c18-13-7-12-17-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,13H,7,12H2
InChIKeyOXXQTXLNRSPSHS-UHFFFAOYSA-N
XLogP3.11
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(benzhydrylideneamino)acetic acid
CID 118304722
N-(3-methylbutyl)-1,1-diphenylmethanimine
CID 11054109
2-(benzhydrylideneamino)-5-oxopentanenitrile
CID 71319783
[2-(benzhydrylideneamino)acetyl] 2-(benzhydrylideneamino)acetate
CID 118304725
(Z)-4,5-diphenylpent-4-enal
CID 102069655
5-oxopentyl benzoate
CID 569875
4-nitroso-6-oxo-6-phenylhexanal
CID 175096375
diphenylmethanone;propanal
CID 159329764
N-(2,2-dimethoxyethyl)-1,1-diphenylmethanimine
CID 155675021
[2-[[2-(benzhydrylideneamino)acetyl]oxymethyl]phenyl]methyl 2-(benzhydrylideneamino)acetate
CID 10984738
decanal;1-phenylethanone
CID 161488656
4-phenyliminobutanal
CID 162303363

Frequently Asked Questions

What is the IUPAC name of 3-(benzhydrylideneamino)propanal?
The IUPAC name of 3-(benzhydrylideneamino)propanal (CID 11447740) is 3-(benzhydrylideneamino)propanal.
What is the SMILES notation for 3-(benzhydrylideneamino)propanal?
The canonical SMILES for 3-(benzhydrylideneamino)propanal is O=CCCN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(benzhydrylideneamino)propanal?
The InChIKey is OXXQTXLNRSPSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c18-13-7-12-17-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,13H,7,12H2.
What are the key properties of 3-(benzhydrylideneamino)propanal?
3-(benzhydrylideneamino)propanal has a molecular weight of 237.30 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzhydrylideneamino)propanal is sourced from PubChem (CID 11447740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).