1-(2,2-dimethylpropylamino)butan-2-one

C9H19NO — CID 58172164

IUPAC1-(2,2-dimethylpropylamino)butan-2-one
SMILESCCC(=O)CNCC(C)(C)C
InChIInChI=1S/C9H19NO/c1-5-8(11)6-10-7-9(2,3)4/h10H,5-7H2,1-4H3
InChIKeyXCOXFMXYLRNDRJ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.60
Rot. Bonds4

About 1-(2,2-dimethylpropylamino)butan-2-one

1-(2,2-dimethylpropylamino)butan-2-one (PubChem CID 58172164) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(2,2-dimethylpropylamino)butan-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropylamino)butan-2-one
PubChem CID58172164
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-(2,2-dimethylpropylamino)butan-2-one
SMILESCCC(=O)CNCC(C)(C)C
InChIInChI=1S/C9H19NO/c1-5-8(11)6-10-7-9(2,3)4/h10H,5-7H2,1-4H3
InChIKeyXCOXFMXYLRNDRJ-UHFFFAOYSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.60
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
2-Butanone, 3,3-dimethyl-1-[(1-methylethyl)amino]-
CID 2329819
3-(Tert-butylamino)butan-2-one
CID 3104922
3,3-Dimethyl-1-(methylamino)-2-butanone
CID 1415631
1-(Tert-butylamino)butan-2-one
CID 1415656
1-(Tert-butylamino)-3-methylbutan-2-one
CID 10419431
3-Methyl-1-(propan-2-ylamino)butan-2-one
CID 11819174
1-(2-Fluoropropylamino)-3-methylbutan-2-one
CID 144043765
1-[(1-Fluoro-2-methylpropyl)amino]butan-2-one
CID 154670405
1-[(1-Fluoro-2-methylpropyl)amino]-3-methylbutan-2-one
CID 154671255

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropylamino)butan-2-one?
The IUPAC name of 1-(2,2-dimethylpropylamino)butan-2-one (CID 58172164) is 1-(2,2-dimethylpropylamino)butan-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropylamino)butan-2-one?
The canonical SMILES for 1-(2,2-dimethylpropylamino)butan-2-one is CCC(=O)CNCC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropylamino)butan-2-one?
The InChIKey is XCOXFMXYLRNDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-8(11)6-10-7-9(2,3)4/h10H,5-7H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropylamino)butan-2-one?
1-(2,2-dimethylpropylamino)butan-2-one has a molecular weight of 157.26 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropylamino)butan-2-one is sourced from PubChem (CID 58172164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).