2-amino-2-(hydroxymethyl)butanenitrile

C5H10N2O — CID 122662800

IUPAC2-amino-2-(hydroxymethyl)butanenitrile
SMILESCCC(N)(C#N)CO
InChIInChI=1S/C5H10N2O/c1-2-5(7,3-6)4-8/h8H,2,4,7H2,1H3
InChIKeyJTBSGYPOACYKQF-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.39
Rot. Bonds2

About 2-amino-2-(hydroxymethyl)butanenitrile

2-amino-2-(hydroxymethyl)butanenitrile (PubChem CID 122662800) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)butanenitrile.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)butanenitrile
PubChem CID122662800
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name2-amino-2-(hydroxymethyl)butanenitrile
SMILESCCC(N)(C#N)CO
InChIInChI=1S/C5H10N2O/c1-2-5(7,3-6)4-8/h8H,2,4,7H2,1H3
InChIKeyJTBSGYPOACYKQF-UHFFFAOYSA-N
XLogP-0.39
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)butanenitrile?
The IUPAC name of 2-amino-2-(hydroxymethyl)butanenitrile (CID 122662800) is 2-amino-2-(hydroxymethyl)butanenitrile.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)butanenitrile?
The canonical SMILES for 2-amino-2-(hydroxymethyl)butanenitrile is CCC(N)(C#N)CO.
What is the InChIKey of 2-amino-2-(hydroxymethyl)butanenitrile?
The InChIKey is JTBSGYPOACYKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-2-5(7,3-6)4-8/h8H,2,4,7H2,1H3.
What are the key properties of 2-amino-2-(hydroxymethyl)butanenitrile?
2-amino-2-(hydroxymethyl)butanenitrile has a molecular weight of 114.15 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)butanenitrile is sourced from PubChem (CID 122662800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).