1-(tert-butylamino)propan-2-one

C7H15NO — CID 5200368

IUPAC1-(tert-butylamino)propan-2-one
SMILESCC(=O)CNC(C)(C)C
InChIInChI=1S/C7H15NO/c1-6(9)5-8-7(2,3)4/h8H,5H2,1-4H3
InChIKeyUWIRAFQKSOKJOI-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.96
Rot. Bonds2

About 1-(tert-butylamino)propan-2-one

1-(tert-butylamino)propan-2-one (PubChem CID 5200368) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-(tert-butylamino)propan-2-one.

Molecular Properties

Compound Name1-(tert-butylamino)propan-2-one
PubChem CID5200368
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-(tert-butylamino)propan-2-one
SMILESCC(=O)CNC(C)(C)C
InChIInChI=1S/C7H15NO/c1-6(9)5-8-7(2,3)4/h8H,5H2,1-4H3
InChIKeyUWIRAFQKSOKJOI-UHFFFAOYSA-N
XLogP0.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)propan-2-one?
The IUPAC name of 1-(tert-butylamino)propan-2-one (CID 5200368) is 1-(tert-butylamino)propan-2-one.
What is the SMILES notation for 1-(tert-butylamino)propan-2-one?
The canonical SMILES for 1-(tert-butylamino)propan-2-one is CC(=O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)propan-2-one?
The InChIKey is UWIRAFQKSOKJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(9)5-8-7(2,3)4/h8H,5H2,1-4H3.
What are the key properties of 1-(tert-butylamino)propan-2-one?
1-(tert-butylamino)propan-2-one has a molecular weight of 129.20 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)propan-2-one is sourced from PubChem (CID 5200368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).