2-amino-2-methylbutanenitrile

C5H10N2 — CID 15576830

IUPAC2-amino-2-methylbutanenitrile
SMILESCCC(C)(N)C#N
InChIInChI=1S/C5H10N2/c1-3-5(2,7)4-6/h3,7H2,1-2H3
InChIKeyJCLSEQJEXYHVTC-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.64
Rot. Bonds1

About 2-amino-2-methylbutanenitrile

2-amino-2-methylbutanenitrile (PubChem CID 15576830) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 2-amino-2-methylbutanenitrile.

Molecular Properties

Compound Name2-amino-2-methylbutanenitrile
PubChem CID15576830
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name2-amino-2-methylbutanenitrile
SMILESCCC(C)(N)C#N
InChIInChI=1S/C5H10N2/c1-3-5(2,7)4-6/h3,7H2,1-2H3
InChIKeyJCLSEQJEXYHVTC-UHFFFAOYSA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylbutanenitrile?
The IUPAC name of 2-amino-2-methylbutanenitrile (CID 15576830) is 2-amino-2-methylbutanenitrile.
What is the SMILES notation for 2-amino-2-methylbutanenitrile?
The canonical SMILES for 2-amino-2-methylbutanenitrile is CCC(C)(N)C#N.
What is the InChIKey of 2-amino-2-methylbutanenitrile?
The InChIKey is JCLSEQJEXYHVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-3-5(2,7)4-6/h3,7H2,1-2H3.
What are the key properties of 2-amino-2-methylbutanenitrile?
2-amino-2-methylbutanenitrile has a molecular weight of 98.15 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylbutanenitrile is sourced from PubChem (CID 15576830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).