3-(N-ethylanilino)pentanenitrile

C13H18N2 — CID 174634114

IUPAC3-(N-ethylanilino)pentanenitrile
SMILESCCC(CC#N)N(CC)c1ccccc1
InChIInChI=1S/C13H18N2/c1-3-12(10-11-14)15(4-2)13-8-6-5-7-9-13/h5-9,12H,3-4,10H2,1-2H3
InChIKeyINTOIGBHLHGWRI-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.21
Rot. Bonds5

About 3-(N-ethylanilino)pentanenitrile

3-(N-ethylanilino)pentanenitrile (PubChem CID 174634114) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-(N-ethylanilino)pentanenitrile.

Molecular Properties

Compound Name3-(N-ethylanilino)pentanenitrile
PubChem CID174634114
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name3-(N-ethylanilino)pentanenitrile
SMILESCCC(CC#N)N(CC)c1ccccc1
InChIInChI=1S/C13H18N2/c1-3-12(10-11-14)15(4-2)13-8-6-5-7-9-13/h5-9,12H,3-4,10H2,1-2H3
InChIKeyINTOIGBHLHGWRI-UHFFFAOYSA-N
XLogP3.21
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-ethylanilino)butanenitrile
CID 21413076
2-[N-(1-hydroxybutan-2-yl)anilino]acetonitrile
CID 111543401
1-N-tert-butyl-2-N-ethyl-2-N-phenylbutane-1,2-diamine
CID 62424673
3-(N-methylanilino)hex-5-ynenitrile
CID 87071951
1-N'-ethyl-1-N'-phenylpropane-1,1-diamine;hydrochloride
CID 19706422
N-ethyl-N-pent-1-en-3-ylaniline
CID 141318240
3-ethyl-5-phenylpent-4-ynenitrile
CID 15355077
2-N-ethyl-3,3,3-trifluoro-2-N-phenylpropane-1,2-diamine
CID 43752644
3-[methyl(pentan-3-yl)amino]pentanenitrile
CID 43571085
1-(N-ethylanilino)propane-1-sulfonic acid
CID 19352883
3-(benzenesulfinyl)pentanenitrile
CID 64690029
3-(N-methylanilino)pent-4-ynenitrile
CID 87071710

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethylanilino)pentanenitrile?
The IUPAC name of 3-(N-ethylanilino)pentanenitrile (CID 174634114) is 3-(N-ethylanilino)pentanenitrile.
What is the SMILES notation for 3-(N-ethylanilino)pentanenitrile?
The canonical SMILES for 3-(N-ethylanilino)pentanenitrile is CCC(CC#N)N(CC)c1ccccc1.
What is the InChIKey of 3-(N-ethylanilino)pentanenitrile?
The InChIKey is INTOIGBHLHGWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-12(10-11-14)15(4-2)13-8-6-5-7-9-13/h5-9,12H,3-4,10H2,1-2H3.
What are the key properties of 3-(N-ethylanilino)pentanenitrile?
3-(N-ethylanilino)pentanenitrile has a molecular weight of 202.30 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethylanilino)pentanenitrile is sourced from PubChem (CID 174634114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).