2-aminopentanedinitrile

C5H7N3 — CID 13492441

IUPAC2-aminopentanedinitrile
SMILESN#CCCC(N)C#N
InChIInChI=1S/C5H7N3/c6-3-1-2-5(8)4-7/h5H,1-2,8H2
InChIKeyOEJCZBUJXIJRST-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.14
Rot. Bonds2

About 2-aminopentanedinitrile

2-aminopentanedinitrile (PubChem CID 13492441) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 2-aminopentanedinitrile.

Molecular Properties

Compound Name2-aminopentanedinitrile
PubChem CID13492441
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name2-aminopentanedinitrile
SMILESN#CCCC(N)C#N
InChIInChI=1S/C5H7N3/c6-3-1-2-5(8)4-7/h5H,1-2,8H2
InChIKeyOEJCZBUJXIJRST-UHFFFAOYSA-N
XLogP0.14
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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-aminopentanedinitrile?
The IUPAC name of 2-aminopentanedinitrile (CID 13492441) is 2-aminopentanedinitrile.
What is the SMILES notation for 2-aminopentanedinitrile?
The canonical SMILES for 2-aminopentanedinitrile is N#CCCC(N)C#N.
What is the InChIKey of 2-aminopentanedinitrile?
The InChIKey is OEJCZBUJXIJRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3/c6-3-1-2-5(8)4-7/h5H,1-2,8H2.
What are the key properties of 2-aminopentanedinitrile?
2-aminopentanedinitrile has a molecular weight of 109.13 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopentanedinitrile is sourced from PubChem (CID 13492441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).