6-(dimethylamino)-2-methyl-2-(2-methylpropylamino)hexan-3-one

C13H28N2O — CID 163571102

IUPAC6-(dimethylamino)-2-methyl-2-(2-methylpropylamino)hexan-3-one
SMILESCC(C)CNC(C)(C)C(=O)CCCN(C)C
InChIInChI=1S/C13H28N2O/c1-11(2)10-14-13(3,4)12(16)8-7-9-15(5)6/h11,14H,7-10H2,1-6H3
InChIKeyQRORGMOELPPOLW-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.92
Rot. Bonds8

About 6-(dimethylamino)-2-methyl-2-(2-methylpropylamino)hexan-3-one

6-(dimethylamino)-2-methyl-2-(2-methylpropylamino)hexan-3-one (PubChem CID 163571102) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 6-(dimethylamino)-2-methyl-2-(2-methylpropylamino)hexan-3-one.

Molecular Properties

Compound Name6-(dimethylamino)-2-methyl-2-(2-methylpropylamino)hexan-3-one
PubChem CID163571102
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name6-(dimethylamino)-2-methyl-2-(2-methylpropylamino)hexan-3-one
SMILESCC(C)CNC(C)(C)C(=O)CCCN(C)C
InChIInChI=1S/C13H28N2O/c1-11(2)10-14-13(3,4)12(16)8-7-9-15(5)6/h11,14H,7-10H2,1-6H3
InChIKeyQRORGMOELPPOLW-UHFFFAOYSA-N
XLogP1.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(dimethylamino)-1,1,1-trifluoropentan-2-one
CID 19005120
6-(dimethylamino)-3-oxohexanoic acid
CID 174931957
2-(2-hydroxypropylamino)-2-methylpropanoic acid
CID 19816225
1-(dimethylamino)-5,5-difluoroheptan-4-one
CID 158665123
4-(dimethylamino)butanoic acid;molecular chlorine
CID 174526336
2-[2-(dimethylamino)ethylamino]-2,4-dimethylpentanoic acid
CID 61001781
4-[methyl(2-methylpropylcarbamoyl)amino]butanoic acid
CID 43151937
1-[3-(dimethylamino)propyl]-1-methyl-3-(2-methylpropyl)thiourea
CID 116508678
2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid
CID 61001424
N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108960555
N-[3-(dimethylamino)propyl]-2-(ethylamino)-N,2-dimethylpropanamide
CID 63693670
3-[3-(dimethylamino)propyl-(2,2-dimethylpropanoyl)amino]propanoic acid
CID 82323749

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-methyl-2-(2-methylpropylamino)hexan-3-one?
The IUPAC name of 6-(dimethylamino)-2-methyl-2-(2-methylpropylamino)hexan-3-one (CID 163571102) is 6-(dimethylamino)-2-methyl-2-(2-methylpropylamino)hexan-3-one.
What is the SMILES notation for 6-(dimethylamino)-2-methyl-2-(2-methylpropylamino)hexan-3-one?
The canonical SMILES for 6-(dimethylamino)-2-methyl-2-(2-methylpropylamino)hexan-3-one is CC(C)CNC(C)(C)C(=O)CCCN(C)C.
What is the InChIKey of 6-(dimethylamino)-2-methyl-2-(2-methylpropylamino)hexan-3-one?
The InChIKey is QRORGMOELPPOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)10-14-13(3,4)12(16)8-7-9-15(5)6/h11,14H,7-10H2,1-6H3.
What are the key properties of 6-(dimethylamino)-2-methyl-2-(2-methylpropylamino)hexan-3-one?
6-(dimethylamino)-2-methyl-2-(2-methylpropylamino)hexan-3-one has a molecular weight of 228.38 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-methyl-2-(2-methylpropylamino)hexan-3-one is sourced from PubChem (CID 163571102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).