2-amino-3-methylbutanenitrile

C5H10N2 — CID 10419137

IUPAC2-amino-3-methylbutanenitrile
SMILESCC(C)C(N)C#N
InChIInChI=1S/C5H10N2/c1-4(2)5(7)3-6/h4-5H,7H2,1-2H3
InChIKeyZMMPZEFSSVTIIW-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.49
Rot. Bonds1

About 2-amino-3-methylbutanenitrile

2-amino-3-methylbutanenitrile (PubChem CID 10419137) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 2-amino-3-methylbutanenitrile.

Molecular Properties

Compound Name2-amino-3-methylbutanenitrile
PubChem CID10419137
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name2-amino-3-methylbutanenitrile
SMILESCC(C)C(N)C#N
InChIInChI=1S/C5H10N2/c1-4(2)5(7)3-6/h4-5H,7H2,1-2H3
InChIKeyZMMPZEFSSVTIIW-UHFFFAOYSA-N
XLogP0.49
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylbutanenitrile?
The IUPAC name of 2-amino-3-methylbutanenitrile (CID 10419137) is 2-amino-3-methylbutanenitrile.
What is the SMILES notation for 2-amino-3-methylbutanenitrile?
The canonical SMILES for 2-amino-3-methylbutanenitrile is CC(C)C(N)C#N.
What is the InChIKey of 2-amino-3-methylbutanenitrile?
The InChIKey is ZMMPZEFSSVTIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-4(2)5(7)3-6/h4-5H,7H2,1-2H3.
What are the key properties of 2-amino-3-methylbutanenitrile?
2-amino-3-methylbutanenitrile has a molecular weight of 98.15 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylbutanenitrile is sourced from PubChem (CID 10419137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).