2-(2-aminoethylamino)-2,2-dicyanoacetamide

C6H9N5O — CID 57223449

IUPAC2-(2-aminoethylamino)-2,2-dicyanoacetamide
SMILESN#CC(C#N)(NCCN)C(N)=O
InChIInChI=1S/C6H9N5O/c7-1-2-11-6(3-8,4-9)5(10)12/h11H,1-2,7H2,(H2,10,12)
InChIKeyNLSSGHMVEVFVJD-UHFFFAOYSA-N
MW167.17 g/mol
LogP-2.19
Rot. Bonds4

About 2-(2-aminoethylamino)-2,2-dicyanoacetamide

2-(2-aminoethylamino)-2,2-dicyanoacetamide (PubChem CID 57223449) has the molecular formula C6H9N5O and a molecular weight of 167.17 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-2,2-dicyanoacetamide.

Molecular Properties

Compound Name2-(2-aminoethylamino)-2,2-dicyanoacetamide
PubChem CID57223449
Molecular FormulaC6H9N5O
Molecular Weight167.17 g/mol
Exact Mass167.08
IUPAC Name2-(2-aminoethylamino)-2,2-dicyanoacetamide
SMILESN#CC(C#N)(NCCN)C(N)=O
InChIInChI=1S/C6H9N5O/c7-1-2-11-6(3-8,4-9)5(10)12/h11H,1-2,7H2,(H2,10,12)
InChIKeyNLSSGHMVEVFVJD-UHFFFAOYSA-N
XLogP-2.19
TPSA128.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-2.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-2,2-dicyanoacetamide?
The IUPAC name of 2-(2-aminoethylamino)-2,2-dicyanoacetamide (CID 57223449) is 2-(2-aminoethylamino)-2,2-dicyanoacetamide.
What is the SMILES notation for 2-(2-aminoethylamino)-2,2-dicyanoacetamide?
The canonical SMILES for 2-(2-aminoethylamino)-2,2-dicyanoacetamide is N#CC(C#N)(NCCN)C(N)=O.
What is the InChIKey of 2-(2-aminoethylamino)-2,2-dicyanoacetamide?
The InChIKey is NLSSGHMVEVFVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O/c7-1-2-11-6(3-8,4-9)5(10)12/h11H,1-2,7H2,(H2,10,12).
What are the key properties of 2-(2-aminoethylamino)-2,2-dicyanoacetamide?
2-(2-aminoethylamino)-2,2-dicyanoacetamide has a molecular weight of 167.17 g/mol, XLogP of -2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-2,2-dicyanoacetamide is sourced from PubChem (CID 57223449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).