2-aminobutanedinitrile

C4H5N3 — CID 543247

IUPAC2-aminobutanedinitrile
SMILESN#CCC(N)C#N
InChIInChI=1S/C4H5N3/c5-2-1-4(7)3-6/h4H,1,7H2
InChIKeyVKLBVSAOSBIXST-UHFFFAOYSA-N
MW95.11 g/mol
LogP-0.25
Rot. Bonds1

About 2-aminobutanedinitrile

2-aminobutanedinitrile (PubChem CID 543247) has the molecular formula C4H5N3 and a molecular weight of 95.11 g/mol. Its IUPAC name is 2-aminobutanedinitrile.

Molecular Properties

Compound Name2-aminobutanedinitrile
PubChem CID543247
Molecular FormulaC4H5N3
Molecular Weight95.11 g/mol
Exact Mass95.05
IUPAC Name2-aminobutanedinitrile
SMILESN#CCC(N)C#N
InChIInChI=1S/C4H5N3/c5-2-1-4(7)3-6/h4H,1,7H2
InChIKeyVKLBVSAOSBIXST-UHFFFAOYSA-N
XLogP-0.25
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.11
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-aminobutanedinitrile?
The IUPAC name of 2-aminobutanedinitrile (CID 543247) is 2-aminobutanedinitrile.
What is the SMILES notation for 2-aminobutanedinitrile?
The canonical SMILES for 2-aminobutanedinitrile is N#CCC(N)C#N.
What is the InChIKey of 2-aminobutanedinitrile?
The InChIKey is VKLBVSAOSBIXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3/c5-2-1-4(7)3-6/h4H,1,7H2.
What are the key properties of 2-aminobutanedinitrile?
2-aminobutanedinitrile has a molecular weight of 95.11 g/mol, XLogP of -0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutanedinitrile is sourced from PubChem (CID 543247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).