2-(4-amino-N-ethylanilino)propanenitrile

C11H15N3 — CID 63234135

IUPAC2-(4-amino-N-ethylanilino)propanenitrile
SMILESCCN(c1ccc(N)cc1)C(C)C#N
InChIInChI=1S/C11H15N3/c1-3-14(9(2)8-12)11-6-4-10(13)5-7-11/h4-7,9H,3,13H2,1-2H3
InChIKeyWSMCQSXNWZQXFX-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.01
Rot. Bonds3

About 2-(4-amino-N-ethylanilino)propanenitrile

2-(4-amino-N-ethylanilino)propanenitrile (PubChem CID 63234135) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(4-amino-N-ethylanilino)propanenitrile.

Molecular Properties

Compound Name2-(4-amino-N-ethylanilino)propanenitrile
PubChem CID63234135
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-(4-amino-N-ethylanilino)propanenitrile
SMILESCCN(c1ccc(N)cc1)C(C)C#N
InChIInChI=1S/C11H15N3/c1-3-14(9(2)8-12)11-6-4-10(13)5-7-11/h4-7,9H,3,13H2,1-2H3
InChIKeyWSMCQSXNWZQXFX-UHFFFAOYSA-N
XLogP2.01
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N-ethylanilino)propanenitrile?
The IUPAC name of 2-(4-amino-N-ethylanilino)propanenitrile (CID 63234135) is 2-(4-amino-N-ethylanilino)propanenitrile.
What is the SMILES notation for 2-(4-amino-N-ethylanilino)propanenitrile?
The canonical SMILES for 2-(4-amino-N-ethylanilino)propanenitrile is CCN(c1ccc(N)cc1)C(C)C#N.
What is the InChIKey of 2-(4-amino-N-ethylanilino)propanenitrile?
The InChIKey is WSMCQSXNWZQXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-3-14(9(2)8-12)11-6-4-10(13)5-7-11/h4-7,9H,3,13H2,1-2H3.
What are the key properties of 2-(4-amino-N-ethylanilino)propanenitrile?
2-(4-amino-N-ethylanilino)propanenitrile has a molecular weight of 189.26 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-N-ethylanilino)propanenitrile is sourced from PubChem (CID 63234135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).