2-(aminomethyl)butanamide

C5H12N2O — CID 54266859

IUPAC2-(aminomethyl)butanamide
SMILESCCC(CN)C(N)=O
InChIInChI=1S/C5H12N2O/c1-2-4(3-6)5(7)8/h4H,2-3,6H2,1H3,(H2,7,8)
InChIKeyVGLLYSWYIREIOO-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.54
Rot. Bonds3

About 2-(aminomethyl)butanamide

2-(aminomethyl)butanamide (PubChem CID 54266859) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-(aminomethyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)butanamide
PubChem CID54266859
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name2-(aminomethyl)butanamide
SMILESCCC(CN)C(N)=O
InChIInChI=1S/C5H12N2O/c1-2-4(3-6)5(7)8/h4H,2-3,6H2,1H3,(H2,7,8)
InChIKeyVGLLYSWYIREIOO-UHFFFAOYSA-N
XLogP-0.54
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)butanamide?
The IUPAC name of 2-(aminomethyl)butanamide (CID 54266859) is 2-(aminomethyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)butanamide?
The canonical SMILES for 2-(aminomethyl)butanamide is CCC(CN)C(N)=O.
What is the InChIKey of 2-(aminomethyl)butanamide?
The InChIKey is VGLLYSWYIREIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-2-4(3-6)5(7)8/h4H,2-3,6H2,1H3,(H2,7,8).
What are the key properties of 2-(aminomethyl)butanamide?
2-(aminomethyl)butanamide has a molecular weight of 116.16 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)butanamide is sourced from PubChem (CID 54266859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).