5-(diethylamino)pentan-2-one

C9H19NO — CID 7739

IUPAC5-(diethylamino)pentan-2-one
SMILESCCN(CC)CCCC(C)=O
InChIInChI=1S/C9H19NO/c1-4-10(5-2)8-6-7-9(3)11/h4-8H2,1-3H3
InChIKeyGRGNJBKJCVOFEO-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.70
Rot. Bonds6

About 5-(diethylamino)pentan-2-one

5-(diethylamino)pentan-2-one (PubChem CID 7739) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 5-(diethylamino)pentan-2-one.

Molecular Properties

Compound Name5-(diethylamino)pentan-2-one
PubChem CID7739
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name5-(diethylamino)pentan-2-one
SMILESCCN(CC)CCCC(C)=O
InChIInChI=1S/C9H19NO/c1-4-10(5-2)8-6-7-9(3)11/h4-8H2,1-3H3
InChIKeyGRGNJBKJCVOFEO-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)pentan-2-one?
The IUPAC name of 5-(diethylamino)pentan-2-one (CID 7739) is 5-(diethylamino)pentan-2-one.
What is the SMILES notation for 5-(diethylamino)pentan-2-one?
The canonical SMILES for 5-(diethylamino)pentan-2-one is CCN(CC)CCCC(C)=O.
What is the InChIKey of 5-(diethylamino)pentan-2-one?
The InChIKey is GRGNJBKJCVOFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-10(5-2)8-6-7-9(3)11/h4-8H2,1-3H3.
What are the key properties of 5-(diethylamino)pentan-2-one?
5-(diethylamino)pentan-2-one has a molecular weight of 157.26 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)pentan-2-one is sourced from PubChem (CID 7739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).