2-amino-2-ethylpropanedinitrile

C5H7N3 — CID 13054977

IUPAC2-amino-2-ethylpropanedinitrile
SMILESCCC(N)(C#N)C#N
InChIInChI=1S/C5H7N3/c1-2-5(8,3-6)4-7/h2,8H2,1H3
InChIKeyGZIVXMRNCLQFSE-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.14
Rot. Bonds1

About 2-amino-2-ethylpropanedinitrile

2-amino-2-ethylpropanedinitrile (PubChem CID 13054977) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 2-amino-2-ethylpropanedinitrile.

Molecular Properties

Compound Name2-amino-2-ethylpropanedinitrile
PubChem CID13054977
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name2-amino-2-ethylpropanedinitrile
SMILESCCC(N)(C#N)C#N
InChIInChI=1S/C5H7N3/c1-2-5(8,3-6)4-7/h2,8H2,1H3
InChIKeyGZIVXMRNCLQFSE-UHFFFAOYSA-N
XLogP0.14
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethylpropanedinitrile?
The IUPAC name of 2-amino-2-ethylpropanedinitrile (CID 13054977) is 2-amino-2-ethylpropanedinitrile.
What is the SMILES notation for 2-amino-2-ethylpropanedinitrile?
The canonical SMILES for 2-amino-2-ethylpropanedinitrile is CCC(N)(C#N)C#N.
What is the InChIKey of 2-amino-2-ethylpropanedinitrile?
The InChIKey is GZIVXMRNCLQFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3/c1-2-5(8,3-6)4-7/h2,8H2,1H3.
What are the key properties of 2-amino-2-ethylpropanedinitrile?
2-amino-2-ethylpropanedinitrile has a molecular weight of 109.13 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethylpropanedinitrile is sourced from PubChem (CID 13054977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).