5-(benzhydrylideneamino)hexan-2-one

C19H21NO — CID 21343384

IUPAC5-(benzhydrylideneamino)hexan-2-one
SMILESCC(=O)CCC(C)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO/c1-15(13-14-16(2)21)20-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15H,13-14H2,1-2H3
InChIKeyLYXQYGAKZFKAAA-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.28
Rot. Bonds6

About 5-(benzhydrylideneamino)hexan-2-one

5-(benzhydrylideneamino)hexan-2-one (PubChem CID 21343384) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-(benzhydrylideneamino)hexan-2-one.

Molecular Properties

Compound Name5-(benzhydrylideneamino)hexan-2-one
PubChem CID21343384
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name5-(benzhydrylideneamino)hexan-2-one
SMILESCC(=O)CCC(C)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO/c1-15(13-14-16(2)21)20-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15H,13-14H2,1-2H3
InChIKeyLYXQYGAKZFKAAA-UHFFFAOYSA-N
XLogP4.28
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-(benzhydrylideneamino)hexan-2-one?
The IUPAC name of 5-(benzhydrylideneamino)hexan-2-one (CID 21343384) is 5-(benzhydrylideneamino)hexan-2-one.
What is the SMILES notation for 5-(benzhydrylideneamino)hexan-2-one?
The canonical SMILES for 5-(benzhydrylideneamino)hexan-2-one is CC(=O)CCC(C)N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-(benzhydrylideneamino)hexan-2-one?
The InChIKey is LYXQYGAKZFKAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-15(13-14-16(2)21)20-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15H,13-14H2,1-2H3.
What are the key properties of 5-(benzhydrylideneamino)hexan-2-one?
5-(benzhydrylideneamino)hexan-2-one has a molecular weight of 279.38 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzhydrylideneamino)hexan-2-one is sourced from PubChem (CID 21343384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).