2-imino-5,5-diphenylpentanal

C17H17NO — CID 138478208

IUPAC2-imino-5,5-diphenylpentanal
SMILES[H]/N=C(\C=O)CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO/c18-16(13-19)11-12-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13,17-18H,11-12H2/b18-16-
InChIKeyDSQAPXLSJYSAQY-VLGSPTGOSA-N
MW251.33 g/mol
LogP3.82
Rot. Bonds6

About 2-imino-5,5-diphenylpentanal

2-imino-5,5-diphenylpentanal (PubChem CID 138478208) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-imino-5,5-diphenylpentanal.

Molecular Properties

Compound Name2-imino-5,5-diphenylpentanal
PubChem CID138478208
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-imino-5,5-diphenylpentanal
SMILES[H]/N=C(\C=O)CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO/c18-16(13-19)11-12-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13,17-18H,11-12H2/b18-16-
InChIKeyDSQAPXLSJYSAQY-VLGSPTGOSA-N
XLogP3.82
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4,4-diphenylbutanamide
CID 125470248
5-imino-4-phenylpentanoic acid
CID 91239017
methyl 2-oxo-5,5-diphenylpentanoate
CID 18371006
3-(3,3-diphenylpropylamino)propanoic acid;hydrochloride
CID 10267968
6,6-diphenylhex-2-enal
CID 175012355
1,4,4-triphenylbutan-1-ol
CID 141326006
3,3-diphenylpropylurea;formic acid
CID 157477952
(4S)-4-(3-chlorophenyl)-4-phenylbutanoic acid
CID 129383494
2-methylidene-6,6-diphenylhexanoic acid
CID 69118432
4-(4-nitrophenyl)-4-phenylbutanoic acid
CID 70520346
CID 66774794
CID 66774794
methyl 5,5-diphenylpentanoate
CID 10923549

Frequently Asked Questions

What is the IUPAC name of 2-imino-5,5-diphenylpentanal?
The IUPAC name of 2-imino-5,5-diphenylpentanal (CID 138478208) is 2-imino-5,5-diphenylpentanal.
What is the SMILES notation for 2-imino-5,5-diphenylpentanal?
The canonical SMILES for 2-imino-5,5-diphenylpentanal is [H]/N=C(\C=O)CCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-imino-5,5-diphenylpentanal?
The InChIKey is DSQAPXLSJYSAQY-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H17NO/c18-16(13-19)11-12-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13,17-18H,11-12H2/b18-16-.
What are the key properties of 2-imino-5,5-diphenylpentanal?
2-imino-5,5-diphenylpentanal has a molecular weight of 251.33 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-5,5-diphenylpentanal is sourced from PubChem (CID 138478208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).