3-(N-ethylanilino)propanenitrile

C11H14N2 — CID 8995

IUPAC3-(N-ethylanilino)propanenitrile
SMILESCCN(CCC#N)c1ccccc1
InChIInChI=1S/C11H14N2/c1-2-13(10-6-9-12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,10H2,1H3
InChIKeyWYRNRZQRKCXPLA-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.43
Rot. Bonds4

About 3-(N-ethylanilino)propanenitrile

3-(N-ethylanilino)propanenitrile (PubChem CID 8995) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 3-(N-ethylanilino)propanenitrile.

Molecular Properties

Compound Name3-(N-ethylanilino)propanenitrile
PubChem CID8995
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name3-(N-ethylanilino)propanenitrile
SMILESCCN(CCC#N)c1ccccc1
InChIInChI=1S/C11H14N2/c1-2-13(10-6-9-12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,10H2,1H3
InChIKeyWYRNRZQRKCXPLA-UHFFFAOYSA-N
XLogP2.43
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(N-ethylanilino)propanenitrile?
The IUPAC name of 3-(N-ethylanilino)propanenitrile (CID 8995) is 3-(N-ethylanilino)propanenitrile.
What is the SMILES notation for 3-(N-ethylanilino)propanenitrile?
The canonical SMILES for 3-(N-ethylanilino)propanenitrile is CCN(CCC#N)c1ccccc1.
What is the InChIKey of 3-(N-ethylanilino)propanenitrile?
The InChIKey is WYRNRZQRKCXPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-13(10-6-9-12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,10H2,1H3.
What are the key properties of 3-(N-ethylanilino)propanenitrile?
3-(N-ethylanilino)propanenitrile has a molecular weight of 174.25 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethylanilino)propanenitrile is sourced from PubChem (CID 8995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).