3-amino-3-methylbutan-2-one

C5H11NO — CID 4913006

IUPAC3-amino-3-methylbutan-2-one
SMILESCC(=O)C(C)(C)N
InChIInChI=1S/C5H11NO/c1-4(7)5(2,3)6/h6H2,1-3H3
InChIKeyKNDSDAUZINPACQ-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.31
Rot. Bonds1

About 3-amino-3-methylbutan-2-one

3-amino-3-methylbutan-2-one (PubChem CID 4913006) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 3-amino-3-methylbutan-2-one.

Molecular Properties

Compound Name3-amino-3-methylbutan-2-one
PubChem CID4913006
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name3-amino-3-methylbutan-2-one
SMILESCC(=O)C(C)(C)N
InChIInChI=1S/C5H11NO/c1-4(7)5(2,3)6/h6H2,1-3H3
InChIKeyKNDSDAUZINPACQ-UHFFFAOYSA-N
XLogP0.31
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methylbutan-2-one?
The IUPAC name of 3-amino-3-methylbutan-2-one (CID 4913006) is 3-amino-3-methylbutan-2-one.
What is the SMILES notation for 3-amino-3-methylbutan-2-one?
The canonical SMILES for 3-amino-3-methylbutan-2-one is CC(=O)C(C)(C)N.
What is the InChIKey of 3-amino-3-methylbutan-2-one?
The InChIKey is KNDSDAUZINPACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-4(7)5(2,3)6/h6H2,1-3H3.
What are the key properties of 3-amino-3-methylbutan-2-one?
3-amino-3-methylbutan-2-one has a molecular weight of 101.15 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methylbutan-2-one is sourced from PubChem (CID 4913006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).