2-[2-(N-ethylanilino)ethylamino]propanenitrile

C13H19N3 — CID 70583680

IUPAC2-[2-(N-ethylanilino)ethylamino]propanenitrile
SMILESCCN(CCNC(C)C#N)c1ccccc1
InChIInChI=1S/C13H19N3/c1-3-16(10-9-15-12(2)11-14)13-7-5-4-6-8-13/h4-8,12,15H,3,9-10H2,1-2H3
InChIKeyPJAZOYHRUIRUFB-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.01
Rot. Bonds6

About 2-[2-(N-ethylanilino)ethylamino]propanenitrile

2-[2-(N-ethylanilino)ethylamino]propanenitrile (PubChem CID 70583680) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-[2-(N-ethylanilino)ethylamino]propanenitrile.

Molecular Properties

Compound Name2-[2-(N-ethylanilino)ethylamino]propanenitrile
PubChem CID70583680
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-[2-(N-ethylanilino)ethylamino]propanenitrile
SMILESCCN(CCNC(C)C#N)c1ccccc1
InChIInChI=1S/C13H19N3/c1-3-16(10-9-15-12(2)11-14)13-7-5-4-6-8-13/h4-8,12,15H,3,9-10H2,1-2H3
InChIKeyPJAZOYHRUIRUFB-UHFFFAOYSA-N
XLogP2.01
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-N'-phenyl-N-(1-phenylethyl)ethane-1,2-diamine
CID 54806369
N,N-diethylaniline
CID 7061
N'-ethyl-N'-(3-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 20811771
(2R)-2-(benzylamino)propanenitrile
CID 28702462
N'-ethyl-N-heptyl-N'-phenylethane-1,2-diamine
CID 54806414
N'-ethyl-N'-phenyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55085608
N-ethyl-N-(2-iodoethyl)aniline
CID 23460336
N-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 61077133
N'-ethyl-N-methyl-N'-phenylpentane-1,5-diamine
CID 62424864
2-[(N-ethylanilino)methyl]-3,3,3-trifluoropropanenitrile
CID 103367670
N,N-diethylaniline;hydrazine
CID 161037544
N'-ethyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine
CID 62573370

Frequently Asked Questions

What is the IUPAC name of 2-[2-(N-ethylanilino)ethylamino]propanenitrile?
The IUPAC name of 2-[2-(N-ethylanilino)ethylamino]propanenitrile (CID 70583680) is 2-[2-(N-ethylanilino)ethylamino]propanenitrile.
What is the SMILES notation for 2-[2-(N-ethylanilino)ethylamino]propanenitrile?
The canonical SMILES for 2-[2-(N-ethylanilino)ethylamino]propanenitrile is CCN(CCNC(C)C#N)c1ccccc1.
What is the InChIKey of 2-[2-(N-ethylanilino)ethylamino]propanenitrile?
The InChIKey is PJAZOYHRUIRUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-3-16(10-9-15-12(2)11-14)13-7-5-4-6-8-13/h4-8,12,15H,3,9-10H2,1-2H3.
What are the key properties of 2-[2-(N-ethylanilino)ethylamino]propanenitrile?
2-[2-(N-ethylanilino)ethylamino]propanenitrile has a molecular weight of 217.32 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(N-ethylanilino)ethylamino]propanenitrile is sourced from PubChem (CID 70583680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).