5-(2-ethylpentylideneamino)pentan-2-one

C12H23NO — CID 90725456

IUPAC5-(2-ethylpentylideneamino)pentan-2-one
SMILESCCCC(/C=N/CCCC(C)=O)CC
InChIInChI=1S/C12H23NO/c1-4-7-12(5-2)10-13-9-6-8-11(3)14/h10,12H,4-9H2,1-3H3/b13-10+
InChIKeyKWRRQONYUVBTBD-JLHYYAGUSA-N
MW197.32 g/mol
LogP3.25
Rot. Bonds8

About 5-(2-ethylpentylideneamino)pentan-2-one

5-(2-ethylpentylideneamino)pentan-2-one (PubChem CID 90725456) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 5-(2-ethylpentylideneamino)pentan-2-one.

Molecular Properties

Compound Name5-(2-ethylpentylideneamino)pentan-2-one
PubChem CID90725456
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name5-(2-ethylpentylideneamino)pentan-2-one
SMILESCCCC(/C=N/CCCC(C)=O)CC
InChIInChI=1S/C12H23NO/c1-4-7-12(5-2)10-13-9-6-8-11(3)14/h10,12H,4-9H2,1-3H3/b13-10+
InChIKeyKWRRQONYUVBTBD-JLHYYAGUSA-N
XLogP3.25
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3,4,5-Tetrahydropyridin-5-yl)ethanone
CID 53636822
1-(2,3,4,5-Tetrahydropyridin-4-yl)ethanone
CID 53752699
2,3-dimethyl-3,5-dihydro-2H-pyridin-4-one
CID 54234304
3-tert-butyl-3,4-dihydro-2H-pyridin-5-one
CID 58468605
4-methyl-3,4-dihydro-2H-pyridin-5-one
CID 67075998
6-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one
CID 91192071
1-(3,4-dihydro-2H-pyrrol-4-yl)ethanone
CID 91348644
3-methyl-3,4-dihydro-2H-pyridin-5-one
CID 91349977
1-(3,4-dihydro-2H-pyrrol-4-yl)propan-1-one
CID 91419936
3,4-dimethyl-3,4-dihydro-2H-pyridin-5-one
CID 91451660
4-(2-Ethylhexylimino)pentan-2-one
CID 118001969
4-Propan-2-yl-2,3,4,5-tetrahydroazepin-6-one
CID 123322218

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpentylideneamino)pentan-2-one?
The IUPAC name of 5-(2-ethylpentylideneamino)pentan-2-one (CID 90725456) is 5-(2-ethylpentylideneamino)pentan-2-one.
What is the SMILES notation for 5-(2-ethylpentylideneamino)pentan-2-one?
The canonical SMILES for 5-(2-ethylpentylideneamino)pentan-2-one is CCCC(/C=N/CCCC(C)=O)CC.
What is the InChIKey of 5-(2-ethylpentylideneamino)pentan-2-one?
The InChIKey is KWRRQONYUVBTBD-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-7-12(5-2)10-13-9-6-8-11(3)14/h10,12H,4-9H2,1-3H3/b13-10+.
What are the key properties of 5-(2-ethylpentylideneamino)pentan-2-one?
5-(2-ethylpentylideneamino)pentan-2-one has a molecular weight of 197.32 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpentylideneamino)pentan-2-one is sourced from PubChem (CID 90725456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).