3-(2,6-diethylphenyl)imino-1-pyridin-2-ylbutan-1-one

C19H22N2O — CID 141062715

IUPAC3-(2,6-diethylphenyl)imino-1-pyridin-2-ylbutan-1-one
SMILESCCc1cccc(CC)c1/N=C(\C)CC(=O)c1ccccn1
InChIInChI=1S/C19H22N2O/c1-4-15-9-8-10-16(5-2)19(15)21-14(3)13-18(22)17-11-6-7-12-20-17/h6-12H,4-5,13H2,1-3H3/b21-14+
InChIKeyPUEPWMUKJDKDNK-KGENOOAVSA-N
MW294.40 g/mol
LogP4.57
Rot. Bonds6

About 3-(2,6-diethylphenyl)imino-1-pyridin-2-ylbutan-1-one

3-(2,6-diethylphenyl)imino-1-pyridin-2-ylbutan-1-one (PubChem CID 141062715) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-(2,6-diethylphenyl)imino-1-pyridin-2-ylbutan-1-one.

Molecular Properties

Compound Name3-(2,6-diethylphenyl)imino-1-pyridin-2-ylbutan-1-one
PubChem CID141062715
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3-(2,6-diethylphenyl)imino-1-pyridin-2-ylbutan-1-one
SMILESCCc1cccc(CC)c1/N=C(\C)CC(=O)c1ccccn1
InChIInChI=1S/C19H22N2O/c1-4-15-9-8-10-16(5-2)19(15)21-14(3)13-18(22)17-11-6-7-12-20-17/h6-12H,4-5,13H2,1-3H3/b21-14+
InChIKeyPUEPWMUKJDKDNK-KGENOOAVSA-N
XLogP4.57
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-diethylphenyl)-1-pyridin-2-ylethanimine;nickel(2+)
CID 158562372
1-pyridin-2-ylbutane-1,3-dione
CID 12707221
cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trichloride
CID 173242790
N-(2,6-diethylphenyl)pyridine-2-carboxamide
CID 19224278
4-methyl-1-pyridin-2-ylpentane-1,3-dione
CID 63319425
3-propylimino-1-pyridin-2-ylpropan-1-one
CID 90739015
1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one
CID 89479479
4-(methylamino)-1-pyridin-2-ylbutan-1-one
CID 83816768
1-pyridin-2-ylhexan-1-one
CID 556347
butane;ethane;1-pyridin-2-ylpropan-1-one
CID 144892300
N-(2-ethyl-6-propan-2-ylphenyl)-1-phenyl-1-pyridin-2-ylmethanimine
CID 142056339
3-amino-1-pyridin-2-ylpropan-1-one
CID 45079500

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diethylphenyl)imino-1-pyridin-2-ylbutan-1-one?
The IUPAC name of 3-(2,6-diethylphenyl)imino-1-pyridin-2-ylbutan-1-one (CID 141062715) is 3-(2,6-diethylphenyl)imino-1-pyridin-2-ylbutan-1-one.
What is the SMILES notation for 3-(2,6-diethylphenyl)imino-1-pyridin-2-ylbutan-1-one?
The canonical SMILES for 3-(2,6-diethylphenyl)imino-1-pyridin-2-ylbutan-1-one is CCc1cccc(CC)c1/N=C(\C)CC(=O)c1ccccn1.
What is the InChIKey of 3-(2,6-diethylphenyl)imino-1-pyridin-2-ylbutan-1-one?
The InChIKey is PUEPWMUKJDKDNK-KGENOOAVSA-N. The full InChI is InChI=1S/C19H22N2O/c1-4-15-9-8-10-16(5-2)19(15)21-14(3)13-18(22)17-11-6-7-12-20-17/h6-12H,4-5,13H2,1-3H3/b21-14+.
What are the key properties of 3-(2,6-diethylphenyl)imino-1-pyridin-2-ylbutan-1-one?
3-(2,6-diethylphenyl)imino-1-pyridin-2-ylbutan-1-one has a molecular weight of 294.40 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diethylphenyl)imino-1-pyridin-2-ylbutan-1-one is sourced from PubChem (CID 141062715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).