3-ethyl-2-(3-methoxyanilino)pentanenitrile

C14H20N2O — CID 61318903

IUPAC3-ethyl-2-(3-methoxyanilino)pentanenitrile
SMILESCCC(CC)C(C#N)Nc1cccc(OC)c1
InChIInChI=1S/C14H20N2O/c1-4-11(5-2)14(10-15)16-12-7-6-8-13(9-12)17-3/h6-9,11,14,16H,4-5H2,1-3H3
InChIKeyJWQLQNHVAUZVEO-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.44
Rot. Bonds6

About 3-ethyl-2-(3-methoxyanilino)pentanenitrile

3-ethyl-2-(3-methoxyanilino)pentanenitrile (PubChem CID 61318903) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-ethyl-2-(3-methoxyanilino)pentanenitrile.

Molecular Properties

Compound Name3-ethyl-2-(3-methoxyanilino)pentanenitrile
PubChem CID61318903
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-ethyl-2-(3-methoxyanilino)pentanenitrile
SMILESCCC(CC)C(C#N)Nc1cccc(OC)c1
InChIInChI=1S/C14H20N2O/c1-4-11(5-2)14(10-15)16-12-7-6-8-13(9-12)17-3/h6-9,11,14,16H,4-5H2,1-3H3
InChIKeyJWQLQNHVAUZVEO-UHFFFAOYSA-N
XLogP3.44
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-2-(4-methoxyanilino)pentanenitrile
CID 61318503
3-ethyl-2-(3-methoxyanilino)pentan-1-ol
CID 61318317
2-(3-methoxyanilino)-4-methylpentanenitrile
CID 60990472
3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline
CID 28548125
2-(3-methoxyanilino)-2-(3-methoxyphenyl)acetonitrile
CID 60990435
3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline
CID 93283290
N-hexan-3-yl-3-methoxyaniline
CID 115916725
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395
3-cyano-N,N-diethyl-3-(3-methoxyanilino)propanamide
CID 66431284
2-(3-chloroanilino)-3-methylpentanenitrile
CID 61319933
3-(3-methoxyanilino)-3-phenylpropanenitrile
CID 62779366
2-(3-methoxyanilino)-2-(3,4,5-trifluorophenyl)acetonitrile
CID 63075570

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(3-methoxyanilino)pentanenitrile?
The IUPAC name of 3-ethyl-2-(3-methoxyanilino)pentanenitrile (CID 61318903) is 3-ethyl-2-(3-methoxyanilino)pentanenitrile.
What is the SMILES notation for 3-ethyl-2-(3-methoxyanilino)pentanenitrile?
The canonical SMILES for 3-ethyl-2-(3-methoxyanilino)pentanenitrile is CCC(CC)C(C#N)Nc1cccc(OC)c1.
What is the InChIKey of 3-ethyl-2-(3-methoxyanilino)pentanenitrile?
The InChIKey is JWQLQNHVAUZVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-11(5-2)14(10-15)16-12-7-6-8-13(9-12)17-3/h6-9,11,14,16H,4-5H2,1-3H3.
What are the key properties of 3-ethyl-2-(3-methoxyanilino)pentanenitrile?
3-ethyl-2-(3-methoxyanilino)pentanenitrile has a molecular weight of 232.33 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(3-methoxyanilino)pentanenitrile is sourced from PubChem (CID 61318903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).