3-[2-cyanoethyl(2-methylprop-2-enyl)amino]propanenitrile

C10H15N3 — CID 11492025

IUPAC3-[2-cyanoethyl(2-methylprop-2-enyl)amino]propanenitrile
SMILESC=C(C)CN(CCC#N)CCC#N
InChIInChI=1S/C10H15N3/c1-10(2)9-13(7-3-5-11)8-4-6-12/h1,3-4,7-9H2,2H3
InChIKeyRXLGWAWANPCBEF-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.69
Rot. Bonds6

About 3-[2-cyanoethyl(2-methylprop-2-enyl)amino]propanenitrile

3-[2-cyanoethyl(2-methylprop-2-enyl)amino]propanenitrile (PubChem CID 11492025) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-[2-cyanoethyl(2-methylprop-2-enyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-cyanoethyl(2-methylprop-2-enyl)amino]propanenitrile
PubChem CID11492025
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name3-[2-cyanoethyl(2-methylprop-2-enyl)amino]propanenitrile
SMILESC=C(C)CN(CCC#N)CCC#N
InChIInChI=1S/C10H15N3/c1-10(2)9-13(7-3-5-11)8-4-6-12/h1,3-4,7-9H2,2H3
InChIKeyRXLGWAWANPCBEF-UHFFFAOYSA-N
XLogP1.69
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-cyanoethyl(2-methylprop-2-enyl)amino]propanenitrile?
The IUPAC name of 3-[2-cyanoethyl(2-methylprop-2-enyl)amino]propanenitrile (CID 11492025) is 3-[2-cyanoethyl(2-methylprop-2-enyl)amino]propanenitrile.
What is the SMILES notation for 3-[2-cyanoethyl(2-methylprop-2-enyl)amino]propanenitrile?
The canonical SMILES for 3-[2-cyanoethyl(2-methylprop-2-enyl)amino]propanenitrile is C=C(C)CN(CCC#N)CCC#N.
What is the InChIKey of 3-[2-cyanoethyl(2-methylprop-2-enyl)amino]propanenitrile?
The InChIKey is RXLGWAWANPCBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-10(2)9-13(7-3-5-11)8-4-6-12/h1,3-4,7-9H2,2H3.
What are the key properties of 3-[2-cyanoethyl(2-methylprop-2-enyl)amino]propanenitrile?
3-[2-cyanoethyl(2-methylprop-2-enyl)amino]propanenitrile has a molecular weight of 177.25 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyanoethyl(2-methylprop-2-enyl)amino]propanenitrile is sourced from PubChem (CID 11492025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).