6-(dimethylamino)hexane-2,3-dione

C8H15NO2 — CID 164832237

IUPAC6-(dimethylamino)hexane-2,3-dione
SMILESCC(=O)C(=O)CCCN(C)C
InChIInChI=1S/C8H15NO2/c1-7(10)8(11)5-4-6-9(2)3/h4-6H2,1-3H3
InChIKeyGXCBZZSSRIUZOF-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.49
Rot. Bonds5

About 6-(dimethylamino)hexane-2,3-dione

6-(dimethylamino)hexane-2,3-dione (PubChem CID 164832237) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 6-(dimethylamino)hexane-2,3-dione.

Molecular Properties

Compound Name6-(dimethylamino)hexane-2,3-dione
PubChem CID164832237
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name6-(dimethylamino)hexane-2,3-dione
SMILESCC(=O)C(=O)CCCN(C)C
InChIInChI=1S/C8H15NO2/c1-7(10)8(11)5-4-6-9(2)3/h4-6H2,1-3H3
InChIKeyGXCBZZSSRIUZOF-UHFFFAOYSA-N
XLogP0.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-(dimethylamino)pentan-2-one;ethane;methane
CID 153399889
4-(dimethylamino)butanoic acid;molecular chlorine
CID 174526336
1-amino-5-(dimethylamino)pentan-2-one
CID 160666073
lithium 5-(dimethylamino)pentanoate
CID 172641180
disodium;4-[3-carboxylatopropyl-[5-(dimethylamino)pentyl]amino]butanoate
CID 168884961
6-(dimethylamino)-3-oxohexanoic acid
CID 174931957
5-(dimethylamino)-1,1,1-trifluoropentan-2-one
CID 19005120
4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one
CID 15284079
1-[3-[bis[3-[bis[6-(dimethylamino)-3-oxohexyl]amino]propyl]amino]propyl-[6-(dimethylamino)-3-oxohexyl]amino]-6-(dimethylamino)hexan-3-one
CID 165064162
5-(dimethylamino)-2-methylidenepentanamide
CID 18359659
7-(dimethylamino)hept-2-en-4-one
CID 173414808
6-[3-(dimethylamino)propyl-methylamino]hexan-2-one
CID 63700931

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)hexane-2,3-dione?
The IUPAC name of 6-(dimethylamino)hexane-2,3-dione (CID 164832237) is 6-(dimethylamino)hexane-2,3-dione.
What is the SMILES notation for 6-(dimethylamino)hexane-2,3-dione?
The canonical SMILES for 6-(dimethylamino)hexane-2,3-dione is CC(=O)C(=O)CCCN(C)C.
What is the InChIKey of 6-(dimethylamino)hexane-2,3-dione?
The InChIKey is GXCBZZSSRIUZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(10)8(11)5-4-6-9(2)3/h4-6H2,1-3H3.
What are the key properties of 6-(dimethylamino)hexane-2,3-dione?
6-(dimethylamino)hexane-2,3-dione has a molecular weight of 157.21 g/mol, XLogP of 0.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)hexane-2,3-dione is sourced from PubChem (CID 164832237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).