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

C11H15N3 — CID 62102800

IUPAC2-(2-amino-N-ethylanilino)propanenitrile
SMILESCCN(c1ccccc1N)C(C)C#N
InChIInChI=1S/C11H15N3/c1-3-14(9(2)8-12)11-7-5-4-6-10(11)13/h4-7,9H,3,13H2,1-2H3
InChIKeyONACHJKWVOUKFK-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.01
Rot. Bonds3

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

2-(2-amino-N-ethylanilino)propanenitrile (PubChem CID 62102800) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(2-amino-N-ethylanilino)propanenitrile.

Molecular Properties

Compound Name2-(2-amino-N-ethylanilino)propanenitrile
PubChem CID62102800
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-(2-amino-N-ethylanilino)propanenitrile
SMILESCCN(c1ccccc1N)C(C)C#N
InChIInChI=1S/C11H15N3/c1-3-14(9(2)8-12)11-7-5-4-6-10(11)13/h4-7,9H,3,13H2,1-2H3
InChIKeyONACHJKWVOUKFK-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-N-ethylanilino)propanenitrile
CID 63234135
2-[(2-aminophenyl)methyl-propan-2-ylamino]benzonitrile
CID 60876648
2-N-ethyl-2-N-methylbenzene-1,2-diamine;dihydrochloride
CID 155970662
2-(2-amino-N-ethylanilino)-N-cyclopentylpropanamide
CID 62102962
2-[(2-aminophenyl)methyl-ethylamino]benzonitrile
CID 60877021
4-amino-3-[butan-2-yl(ethyl)amino]benzonitrile
CID 104711503
2-(2-amino-N-propylanilino)acetonitrile
CID 63230761
2-(2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]anilino)acetic acid
CID 63118749
3-(3-amino-2-methyl-N-propan-2-ylanilino)propanenitrile
CID 63063256
2-[furan-2-ylmethyl(methyl)amino]propanenitrile
CID 60643804
2-N-(1-methoxypropan-2-yl)-2-N-methylbenzene-1,2-diamine
CID 61449915
2-(2-aminophenyl)propanenitrile
CID 20509311

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-ethylanilino)propanenitrile?
The IUPAC name of 2-(2-amino-N-ethylanilino)propanenitrile (CID 62102800) is 2-(2-amino-N-ethylanilino)propanenitrile.
What is the SMILES notation for 2-(2-amino-N-ethylanilino)propanenitrile?
The canonical SMILES for 2-(2-amino-N-ethylanilino)propanenitrile is CCN(c1ccccc1N)C(C)C#N.
What is the InChIKey of 2-(2-amino-N-ethylanilino)propanenitrile?
The InChIKey is ONACHJKWVOUKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-3-14(9(2)8-12)11-7-5-4-6-10(11)13/h4-7,9H,3,13H2,1-2H3.
What are the key properties of 2-(2-amino-N-ethylanilino)propanenitrile?
2-(2-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-(2-amino-N-ethylanilino)propanenitrile is sourced from PubChem (CID 62102800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).