3,3-dimethyl-1-(methylamino)butan-2-one;ethane

C9H21NO — CID 177241657

IUPAC3,3-dimethyl-1-(methylamino)butan-2-one;ethane
SMILESCC.CNCC(=O)C(C)(C)C
InChIInChI=1S/C7H15NO.C2H6/c1-7(2,3)6(9)5-8-4;1-2/h8H,5H2,1-4H3;1-2H3
InChIKeyJQAWDULICGNNDI-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.85
Rot. Bonds2

About 3,3-dimethyl-1-(methylamino)butan-2-one;ethane

3,3-dimethyl-1-(methylamino)butan-2-one;ethane (PubChem CID 177241657) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 3,3-dimethyl-1-(methylamino)butan-2-one;ethane.

Molecular Properties

Compound Name3,3-dimethyl-1-(methylamino)butan-2-one;ethane
PubChem CID177241657
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name3,3-dimethyl-1-(methylamino)butan-2-one;ethane
SMILESCC.CNCC(=O)C(C)(C)C
InChIInChI=1S/C7H15NO.C2H6/c1-7(2,3)6(9)5-8-4;1-2/h8H,5H2,1-4H3;1-2H3
InChIKeyJQAWDULICGNNDI-UHFFFAOYSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,3-Dimethyl-2-oxobutyl)amino]-3,3-dimethylbutan-2-one;hydrobromide
CID 16196148
2-Butanone, 1,1'-iminobis[3,3-dimethyl-
CID 2329821
Sbb002883
CID 1415652
3,3-Dimethyl-4-methylamino-butan-2-one
CID 541550
2-Butanone, 3,3-dimethyl-1-[(1-methylethyl)amino]-
CID 2329819
1-(Dimethylamino)-3,3-dimethylbutan-2-one
CID 314817
3,3-Dimethyl-1-(methylamino)-2-butanone
CID 1415631
3,3-Dimethyl-1-(methylamino)butan-2-one hydrochloride
CID 53444475
3,3-Dimethyl-1-(2,2,2-trifluoroethylamino)butan-2-one
CID 116588641
1-[(2-Fluoro-2-methylpropyl)amino]butan-2-one
CID 144037672
3-Fluoro-3-methyl-1-(methylamino)butan-2-one
CID 165840304
1-[(3,3-Dimethyl-2-oxobutyl)amino]-3,3-dimethylbutan-2-one bromide
CID 49876586

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(methylamino)butan-2-one;ethane?
The IUPAC name of 3,3-dimethyl-1-(methylamino)butan-2-one;ethane (CID 177241657) is 3,3-dimethyl-1-(methylamino)butan-2-one;ethane.
What is the SMILES notation for 3,3-dimethyl-1-(methylamino)butan-2-one;ethane?
The canonical SMILES for 3,3-dimethyl-1-(methylamino)butan-2-one;ethane is CC.CNCC(=O)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-(methylamino)butan-2-one;ethane?
The InChIKey is JQAWDULICGNNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C2H6/c1-7(2,3)6(9)5-8-4;1-2/h8H,5H2,1-4H3;1-2H3.
What are the key properties of 3,3-dimethyl-1-(methylamino)butan-2-one;ethane?
3,3-dimethyl-1-(methylamino)butan-2-one;ethane has a molecular weight of 159.27 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(methylamino)butan-2-one;ethane is sourced from PubChem (CID 177241657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).