3-(tert-butylamino)butan-2-one

C8H17NO — CID 3104922

IUPAC3-(tert-butylamino)butan-2-one
SMILESCC(=O)C(C)NC(C)(C)C
InChIInChI=1S/C8H17NO/c1-6(7(2)10)9-8(3,4)5/h6,9H,1-5H3
InChIKeyJSPAFIBWRAKWRY-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.35
Rot. Bonds2

About 3-(tert-butylamino)butan-2-one

3-(tert-butylamino)butan-2-one (PubChem CID 3104922) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-(tert-butylamino)butan-2-one.

Molecular Properties

Compound Name3-(tert-butylamino)butan-2-one
PubChem CID3104922
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-(tert-butylamino)butan-2-one
SMILESCC(=O)C(C)NC(C)(C)C
InChIInChI=1S/C8H17NO/c1-6(7(2)10)9-8(3,4)5/h6,9H,1-5H3
InChIKeyJSPAFIBWRAKWRY-UHFFFAOYSA-N
XLogP1.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(tert-butylamino)butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)butan-2-one?
The IUPAC name of 3-(tert-butylamino)butan-2-one (CID 3104922) is 3-(tert-butylamino)butan-2-one.
What is the SMILES notation for 3-(tert-butylamino)butan-2-one?
The canonical SMILES for 3-(tert-butylamino)butan-2-one is CC(=O)C(C)NC(C)(C)C.
What is the InChIKey of 3-(tert-butylamino)butan-2-one?
The InChIKey is JSPAFIBWRAKWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-6(7(2)10)9-8(3,4)5/h6,9H,1-5H3.
What are the key properties of 3-(tert-butylamino)butan-2-one?
3-(tert-butylamino)butan-2-one has a molecular weight of 143.23 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)butan-2-one is sourced from PubChem (CID 3104922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).