1-(tert-butylamino)-3-methylbutan-2-one

C9H19NO — CID 10419431

IUPAC1-(tert-butylamino)-3-methylbutan-2-one
SMILESCC(C)C(=O)CNC(C)(C)C
InChIInChI=1S/C9H19NO/c1-7(2)8(11)6-10-9(3,4)5/h7,10H,6H2,1-5H3
InChIKeyWQYLRPQTYKSYOG-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.60
Rot. Bonds3

About 1-(tert-butylamino)-3-methylbutan-2-one

1-(tert-butylamino)-3-methylbutan-2-one (PubChem CID 10419431) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-methylbutan-2-one.

Molecular Properties

Compound Name1-(tert-butylamino)-3-methylbutan-2-one
PubChem CID10419431
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-(tert-butylamino)-3-methylbutan-2-one
SMILESCC(C)C(=O)CNC(C)(C)C
InChIInChI=1S/C9H19NO/c1-7(2)8(11)6-10-9(3,4)5/h7,10H,6H2,1-5H3
InChIKeyWQYLRPQTYKSYOG-UHFFFAOYSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

Sbb002883
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2-Butanone, 3,3-dimethyl-1-[(1-methylethyl)amino]-
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3-(Tert-butylamino)butan-2-one
CID 3104922
1-(Tert-butylamino)propan-2-one
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3-Methyl-1-(propan-2-ylamino)butan-2-one
CID 11819174
3-Methyl-3-(methylamino)butan-2-one
CID 12412849
2,4-Dimethyl-2-(2,2,2-trifluoroethylamino)pentan-3-one
CID 130457187
1-(2-Fluoropropylamino)-3-methylbutan-2-one
CID 144043765
1-[(2-Fluoro-3-methylbutan-2-yl)amino]-3-methylbutan-2-one
CID 154670217

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-methylbutan-2-one?
The IUPAC name of 1-(tert-butylamino)-3-methylbutan-2-one (CID 10419431) is 1-(tert-butylamino)-3-methylbutan-2-one.
What is the SMILES notation for 1-(tert-butylamino)-3-methylbutan-2-one?
The canonical SMILES for 1-(tert-butylamino)-3-methylbutan-2-one is CC(C)C(=O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-3-methylbutan-2-one?
The InChIKey is WQYLRPQTYKSYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)8(11)6-10-9(3,4)5/h7,10H,6H2,1-5H3.
What are the key properties of 1-(tert-butylamino)-3-methylbutan-2-one?
1-(tert-butylamino)-3-methylbutan-2-one has a molecular weight of 157.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-methylbutan-2-one is sourced from PubChem (CID 10419431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).