3-amino-3-methylbutanamide;hydrochloride

C5H13ClN2O — CID 75421022

IUPAC3-amino-3-methylbutanamide;hydrochloride
SMILESCC(C)(N)CC(N)=O.Cl
InChIInChI=1S/C5H12N2O.ClH/c1-5(2,7)3-4(6)8;/h3,7H2,1-2H3,(H2,6,8);1H
InChIKeyHTBRPHAJYMZOMW-UHFFFAOYSA-N
MW152.63 g/mol
LogP0.02
Rot. Bonds2

About 3-amino-3-methylbutanamide;hydrochloride

3-amino-3-methylbutanamide;hydrochloride (PubChem CID 75421022) has the molecular formula C5H13ClN2O and a molecular weight of 152.63 g/mol. Its IUPAC name is 3-amino-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-3-methylbutanamide;hydrochloride
PubChem CID75421022
Molecular FormulaC5H13ClN2O
Molecular Weight152.63 g/mol
Exact Mass152.07
IUPAC Name3-amino-3-methylbutanamide;hydrochloride
SMILESCC(C)(N)CC(N)=O.Cl
InChIInChI=1S/C5H12N2O.ClH/c1-5(2,7)3-4(6)8;/h3,7H2,1-2H3,(H2,6,8);1H
InChIKeyHTBRPHAJYMZOMW-UHFFFAOYSA-N
XLogP0.02
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.63
LogP ≤ 50.02
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;hydrochloride?
The IUPAC name of 3-amino-3-methylbutanamide;hydrochloride (CID 75421022) is 3-amino-3-methylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-3-methylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-3-methylbutanamide;hydrochloride is CC(C)(N)CC(N)=O.Cl.
What is the InChIKey of 3-amino-3-methylbutanamide;hydrochloride?
The InChIKey is HTBRPHAJYMZOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.ClH/c1-5(2,7)3-4(6)8;/h3,7H2,1-2H3,(H2,6,8);1H.
What are the key properties of 3-amino-3-methylbutanamide;hydrochloride?
3-amino-3-methylbutanamide;hydrochloride has a molecular weight of 152.63 g/mol, XLogP of 0.02, 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;hydrochloride is sourced from PubChem (CID 75421022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).