3-ethyl-1-(ethylamino)pentan-2-one

C9H19NO — CID 116562665

IUPAC3-ethyl-1-(ethylamino)pentan-2-one
SMILESCCNCC(=O)C(CC)CC
InChIInChI=1S/C9H19NO/c1-4-8(5-2)9(11)7-10-6-3/h8,10H,4-7H2,1-3H3
InChIKeyOKYWAHHLCZVBGE-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.60
Rot. Bonds6

About 3-ethyl-1-(ethylamino)pentan-2-one

3-ethyl-1-(ethylamino)pentan-2-one (PubChem CID 116562665) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-ethyl-1-(ethylamino)pentan-2-one.

Molecular Properties

Compound Name3-ethyl-1-(ethylamino)pentan-2-one
PubChem CID116562665
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-ethyl-1-(ethylamino)pentan-2-one
SMILESCCNCC(=O)C(CC)CC
InChIInChI=1S/C9H19NO/c1-4-8(5-2)9(11)7-10-6-3/h8,10H,4-7H2,1-3H3
InChIKeyOKYWAHHLCZVBGE-UHFFFAOYSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(prop-2-ynylamino)pentan-2-one
CID 116589606
3-ethyl-1-(propan-2-ylamino)pentan-2-one
CID 116554985
1-(ethylamino)-3-methylhexan-2-one
CID 107889963
3-(ethylaminomethyl)pentan-2-one
CID 143094053
2-(ethylamino)-N-(2-ethylbutyl)acetamide
CID 115738196
3-ethyl-6-methyloct-6-en-4-one
CID 173461598
bis(4-ethyl-3-oxohexanoate);titanium(2+);dihydrate
CID 174056895
2-(ethylamino)-N-oxoacetamide
CID 138632842
sodium 2-(hydroxymethyl)butanoate
CID 23711714
methyl 5-ethyl-2-hydroxy-4-oxoheptanoate
CID 19688722
1-(ethylamino)-5-methylhexan-2-one
CID 116562437
2-ethyl-N-[3-(2-ethylbutanoylamino)-2-oxopropyl]butanamide
CID 71392094

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(ethylamino)pentan-2-one?
The IUPAC name of 3-ethyl-1-(ethylamino)pentan-2-one (CID 116562665) is 3-ethyl-1-(ethylamino)pentan-2-one.
What is the SMILES notation for 3-ethyl-1-(ethylamino)pentan-2-one?
The canonical SMILES for 3-ethyl-1-(ethylamino)pentan-2-one is CCNCC(=O)C(CC)CC.
What is the InChIKey of 3-ethyl-1-(ethylamino)pentan-2-one?
The InChIKey is OKYWAHHLCZVBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-8(5-2)9(11)7-10-6-3/h8,10H,4-7H2,1-3H3.
What are the key properties of 3-ethyl-1-(ethylamino)pentan-2-one?
3-ethyl-1-(ethylamino)pentan-2-one has a molecular weight of 157.26 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(ethylamino)pentan-2-one is sourced from PubChem (CID 116562665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).