6-(diethylamino)hexan-2-one

C10H21NO — CID 13112486

IUPAC6-(diethylamino)hexan-2-one
SMILESCCN(CC)CCCCC(C)=O
InChIInChI=1S/C10H21NO/c1-4-11(5-2)9-7-6-8-10(3)12/h4-9H2,1-3H3
InChIKeyGYDAARUHGHPCFK-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.09
Rot. Bonds7

About 6-(diethylamino)hexan-2-one

6-(diethylamino)hexan-2-one (PubChem CID 13112486) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 6-(diethylamino)hexan-2-one.

Molecular Properties

Compound Name6-(diethylamino)hexan-2-one
PubChem CID13112486
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name6-(diethylamino)hexan-2-one
SMILESCCN(CC)CCCCC(C)=O
InChIInChI=1S/C10H21NO/c1-4-11(5-2)9-7-6-8-10(3)12/h4-9H2,1-3H3
InChIKeyGYDAARUHGHPCFK-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)hexan-2-one?
The IUPAC name of 6-(diethylamino)hexan-2-one (CID 13112486) is 6-(diethylamino)hexan-2-one.
What is the SMILES notation for 6-(diethylamino)hexan-2-one?
The canonical SMILES for 6-(diethylamino)hexan-2-one is CCN(CC)CCCCC(C)=O.
What is the InChIKey of 6-(diethylamino)hexan-2-one?
The InChIKey is GYDAARUHGHPCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-11(5-2)9-7-6-8-10(3)12/h4-9H2,1-3H3.
What are the key properties of 6-(diethylamino)hexan-2-one?
6-(diethylamino)hexan-2-one has a molecular weight of 171.28 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)hexan-2-one is sourced from PubChem (CID 13112486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).