2-(1-cyanoethylamino)butanenitrile

C7H11N3 — CID 19979686

IUPAC2-(1-cyanoethylamino)butanenitrile
SMILESCCC(C#N)NC(C)C#N
InChIInChI=1S/C7H11N3/c1-3-7(5-9)10-6(2)4-8/h6-7,10H,3H2,1-2H3
InChIKeyUNUBPRDNRISXGO-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.79
Rot. Bonds3

About 2-(1-cyanoethylamino)butanenitrile

2-(1-cyanoethylamino)butanenitrile (PubChem CID 19979686) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 2-(1-cyanoethylamino)butanenitrile.

Molecular Properties

Compound Name2-(1-cyanoethylamino)butanenitrile
PubChem CID19979686
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name2-(1-cyanoethylamino)butanenitrile
SMILESCCC(C#N)NC(C)C#N
InChIInChI=1S/C7H11N3/c1-3-7(5-9)10-6(2)4-8/h6-7,10H,3H2,1-2H3
InChIKeyUNUBPRDNRISXGO-UHFFFAOYSA-N
XLogP0.79
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyanoethylamino)butanenitrile?
The IUPAC name of 2-(1-cyanoethylamino)butanenitrile (CID 19979686) is 2-(1-cyanoethylamino)butanenitrile.
What is the SMILES notation for 2-(1-cyanoethylamino)butanenitrile?
The canonical SMILES for 2-(1-cyanoethylamino)butanenitrile is CCC(C#N)NC(C)C#N.
What is the InChIKey of 2-(1-cyanoethylamino)butanenitrile?
The InChIKey is UNUBPRDNRISXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-3-7(5-9)10-6(2)4-8/h6-7,10H,3H2,1-2H3.
What are the key properties of 2-(1-cyanoethylamino)butanenitrile?
2-(1-cyanoethylamino)butanenitrile has a molecular weight of 137.19 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyanoethylamino)butanenitrile is sourced from PubChem (CID 19979686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).