2-amino-3-(methylamino)propanenitrile

C4H9N3 — CID 59279770

IUPAC2-amino-3-(methylamino)propanenitrile
SMILESCNCC(N)C#N
InChIInChI=1S/C4H9N3/c1-7-3-4(6)2-5/h4,7H,3,6H2,1H3
InChIKeyWROMUTHDRQNYMF-UHFFFAOYSA-N
MW99.14 g/mol
LogP-0.94
Rot. Bonds2

About 2-amino-3-(methylamino)propanenitrile

2-amino-3-(methylamino)propanenitrile (PubChem CID 59279770) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is 2-amino-3-(methylamino)propanenitrile.

Molecular Properties

Compound Name2-amino-3-(methylamino)propanenitrile
PubChem CID59279770
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC Name2-amino-3-(methylamino)propanenitrile
SMILESCNCC(N)C#N
InChIInChI=1S/C4H9N3/c1-7-3-4(6)2-5/h4,7H,3,6H2,1H3
InChIKeyWROMUTHDRQNYMF-UHFFFAOYSA-N
XLogP-0.94
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(methylamino)propanenitrile?
The IUPAC name of 2-amino-3-(methylamino)propanenitrile (CID 59279770) is 2-amino-3-(methylamino)propanenitrile.
What is the SMILES notation for 2-amino-3-(methylamino)propanenitrile?
The canonical SMILES for 2-amino-3-(methylamino)propanenitrile is CNCC(N)C#N.
What is the InChIKey of 2-amino-3-(methylamino)propanenitrile?
The InChIKey is WROMUTHDRQNYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3/c1-7-3-4(6)2-5/h4,7H,3,6H2,1H3.
What are the key properties of 2-amino-3-(methylamino)propanenitrile?
2-amino-3-(methylamino)propanenitrile has a molecular weight of 99.14 g/mol, XLogP of -0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(methylamino)propanenitrile is sourced from PubChem (CID 59279770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).