2-amino-2-ethylbutanenitrile

C6H12N2 — CID 12745213

IUPAC2-amino-2-ethylbutanenitrile
SMILESCCC(N)(C#N)CC
InChIInChI=1S/C6H12N2/c1-3-6(8,4-2)5-7/h3-4,8H2,1-2H3
InChIKeyAUWOKGIWMDMIRQ-UHFFFAOYSA-N
MW112.18 g/mol
LogP1.03
Rot. Bonds2

About 2-amino-2-ethylbutanenitrile

2-amino-2-ethylbutanenitrile (PubChem CID 12745213) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-amino-2-ethylbutanenitrile.

Molecular Properties

Compound Name2-amino-2-ethylbutanenitrile
PubChem CID12745213
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2-amino-2-ethylbutanenitrile
SMILESCCC(N)(C#N)CC
InChIInChI=1S/C6H12N2/c1-3-6(8,4-2)5-7/h3-4,8H2,1-2H3
InChIKeyAUWOKGIWMDMIRQ-UHFFFAOYSA-N
XLogP1.03
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethylbutanenitrile?
The IUPAC name of 2-amino-2-ethylbutanenitrile (CID 12745213) is 2-amino-2-ethylbutanenitrile.
What is the SMILES notation for 2-amino-2-ethylbutanenitrile?
The canonical SMILES for 2-amino-2-ethylbutanenitrile is CCC(N)(C#N)CC.
What is the InChIKey of 2-amino-2-ethylbutanenitrile?
The InChIKey is AUWOKGIWMDMIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-6(8,4-2)5-7/h3-4,8H2,1-2H3.
What are the key properties of 2-amino-2-ethylbutanenitrile?
2-amino-2-ethylbutanenitrile has a molecular weight of 112.18 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethylbutanenitrile is sourced from PubChem (CID 12745213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).