3-amino-3-methylbutanamide

C5H12N2O — CID 15405193

IUPAC3-amino-3-methylbutanamide
SMILESCC(C)(N)CC(N)=O
InChIInChI=1S/C5H12N2O/c1-5(2,7)3-4(6)8/h3,7H2,1-2H3,(H2,6,8)
InChIKeyBQVGZFQLSSJSMW-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.40
Rot. Bonds2

About 3-amino-3-methylbutanamide

3-amino-3-methylbutanamide (PubChem CID 15405193) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 3-amino-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-3-methylbutanamide
PubChem CID15405193
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name3-amino-3-methylbutanamide
SMILESCC(C)(N)CC(N)=O
InChIInChI=1S/C5H12N2O/c1-5(2,7)3-4(6)8/h3,7H2,1-2H3,(H2,6,8)
InChIKeyBQVGZFQLSSJSMW-UHFFFAOYSA-N
XLogP-0.40
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methylbutanamide?
The IUPAC name of 3-amino-3-methylbutanamide (CID 15405193) is 3-amino-3-methylbutanamide.
What is the SMILES notation for 3-amino-3-methylbutanamide?
The canonical SMILES for 3-amino-3-methylbutanamide is CC(C)(N)CC(N)=O.
What is the InChIKey of 3-amino-3-methylbutanamide?
The InChIKey is BQVGZFQLSSJSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-5(2,7)3-4(6)8/h3,7H2,1-2H3,(H2,6,8).
What are the key properties of 3-amino-3-methylbutanamide?
3-amino-3-methylbutanamide has a molecular weight of 116.16 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methylbutanamide is sourced from PubChem (CID 15405193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).