2-(N-ethylanilino)butanenitrile

C12H16N2 — CID 21413076

IUPAC2-(N-ethylanilino)butanenitrile
SMILESCCC(C#N)N(CC)c1ccccc1
InChIInChI=1S/C12H16N2/c1-3-11(10-13)14(4-2)12-8-6-5-7-9-12/h5-9,11H,3-4H2,1-2H3
InChIKeySYAYERBEMPPPRZ-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.82
Rot. Bonds4

About 2-(N-ethylanilino)butanenitrile

2-(N-ethylanilino)butanenitrile (PubChem CID 21413076) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(N-ethylanilino)butanenitrile.

Molecular Properties

Compound Name2-(N-ethylanilino)butanenitrile
PubChem CID21413076
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-(N-ethylanilino)butanenitrile
SMILESCCC(C#N)N(CC)c1ccccc1
InChIInChI=1S/C12H16N2/c1-3-11(10-13)14(4-2)12-8-6-5-7-9-12/h5-9,11H,3-4H2,1-2H3
InChIKeySYAYERBEMPPPRZ-UHFFFAOYSA-N
XLogP2.82
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-ethylanilino)pentanenitrile
CID 174634114
1-N'-ethyl-1-N'-phenylpropane-1,1-diamine;hydrochloride
CID 19706422
N-ethyl-N-pent-1-en-3-ylaniline
CID 141318240
(1S)-1-(N-ethylanilino)propane-1,3-diol
CID 124514584
2-[N-(1-hydroxybutan-2-yl)anilino]acetonitrile
CID 111543401
2-N-ethyl-3,3,3-trifluoro-2-N-phenylpropane-1,2-diamine
CID 43752644
1-(N-ethylanilino)propane-1-sulfonic acid
CID 19352883
2-[benzyl(2-hydroxyethyl)amino]butanenitrile
CID 62115822
1-N-tert-butyl-2-N-ethyl-2-N-phenylbutane-1,2-diamine
CID 62424673
N-[1-(2,6-dichlorophenoxy)ethyl]-N-ethylaniline
CID 70632999
2-(4-amino-N-ethylanilino)propanenitrile
CID 63234135
2-[(N-ethylanilino)methyl]-3,3,3-trifluoropropanenitrile
CID 103367670

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethylanilino)butanenitrile?
The IUPAC name of 2-(N-ethylanilino)butanenitrile (CID 21413076) is 2-(N-ethylanilino)butanenitrile.
What is the SMILES notation for 2-(N-ethylanilino)butanenitrile?
The canonical SMILES for 2-(N-ethylanilino)butanenitrile is CCC(C#N)N(CC)c1ccccc1.
What is the InChIKey of 2-(N-ethylanilino)butanenitrile?
The InChIKey is SYAYERBEMPPPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-3-11(10-13)14(4-2)12-8-6-5-7-9-12/h5-9,11H,3-4H2,1-2H3.
What are the key properties of 2-(N-ethylanilino)butanenitrile?
2-(N-ethylanilino)butanenitrile has a molecular weight of 188.27 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethylanilino)butanenitrile is sourced from PubChem (CID 21413076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).