5-(dimethylamino)-2-ethyl-2-(3-methoxyphenyl)pentanenitrile

C16H24N2O — CID 154344406

IUPAC5-(dimethylamino)-2-ethyl-2-(3-methoxyphenyl)pentanenitrile
SMILESCCC(C#N)(CCCN(C)C)c1cccc(OC)c1
InChIInChI=1S/C16H24N2O/c1-5-16(13-17,10-7-11-18(2)3)14-8-6-9-15(12-14)19-4/h6,8-9,12H,5,7,10-11H2,1-4H3
InChIKeyYEINZUOFYSRUAO-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.21
Rot. Bonds7

About 5-(dimethylamino)-2-ethyl-2-(3-methoxyphenyl)pentanenitrile

5-(dimethylamino)-2-ethyl-2-(3-methoxyphenyl)pentanenitrile (PubChem CID 154344406) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-(dimethylamino)-2-ethyl-2-(3-methoxyphenyl)pentanenitrile.

Molecular Properties

Compound Name5-(dimethylamino)-2-ethyl-2-(3-methoxyphenyl)pentanenitrile
PubChem CID154344406
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name5-(dimethylamino)-2-ethyl-2-(3-methoxyphenyl)pentanenitrile
SMILESCCC(C#N)(CCCN(C)C)c1cccc(OC)c1
InChIInChI=1S/C16H24N2O/c1-5-16(13-17,10-7-11-18(2)3)14-8-6-9-15(12-14)19-4/h6,8-9,12H,5,7,10-11H2,1-4H3
InChIKeyYEINZUOFYSRUAO-UHFFFAOYSA-N
XLogP3.21
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethyl]-2-(3-methoxyphenyl)-4-phenylbutanenitrile
CID 13316584
2-ethyl-2-(3-methoxyphenyl)-4-piperazin-1-ylbutanenitrile
CID 139795471
2-(3-methoxyphenyl)-2-[3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-methylamino]propyl]tetradecanenitrile
CID 54273352
2-amino-2-ethyl-5-(3-methoxy-N-methylanilino)pentanenitrile
CID 106803438
(2S)-2-[3-[2-(3-methoxyphenyl)ethyl-methylamino]propyl]-2-(3,4,5-trimethoxyphenyl)tetradecanenitrile;hydrochloride
CID 91827013
2-(3-methoxyphenyl)-2-methylbutanedinitrile
CID 15429064
[4-cyano-4-(3-methoxyphenyl)hexadecyl]-[2-(3-methoxyphenyl)ethyl]-methylazanium chloride
CID 164512150
4,4-difluoro-4-(3-methoxyphenyl)butanenitrile
CID 116840953
3,3,3-trifluoro-2-(3-methoxyphenyl)-2-methylpropanenitrile
CID 139942467
(3S)-3-amino-3-(3-methoxyphenyl)butanenitrile
CID 130657362
(2R,3S)-2-ethyl-3-methoxy-3-(3-methoxyphenyl)-N,N-dimethylpentan-1-amine
CID 142251053
2-(3-methoxyphenyl)-2-[6-(3-methoxyphenyl)-4-(methyldiazenyl)hexyl]tridecanenitrile
CID 70061805

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-ethyl-2-(3-methoxyphenyl)pentanenitrile?
The IUPAC name of 5-(dimethylamino)-2-ethyl-2-(3-methoxyphenyl)pentanenitrile (CID 154344406) is 5-(dimethylamino)-2-ethyl-2-(3-methoxyphenyl)pentanenitrile.
What is the SMILES notation for 5-(dimethylamino)-2-ethyl-2-(3-methoxyphenyl)pentanenitrile?
The canonical SMILES for 5-(dimethylamino)-2-ethyl-2-(3-methoxyphenyl)pentanenitrile is CCC(C#N)(CCCN(C)C)c1cccc(OC)c1.
What is the InChIKey of 5-(dimethylamino)-2-ethyl-2-(3-methoxyphenyl)pentanenitrile?
The InChIKey is YEINZUOFYSRUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-5-16(13-17,10-7-11-18(2)3)14-8-6-9-15(12-14)19-4/h6,8-9,12H,5,7,10-11H2,1-4H3.
What are the key properties of 5-(dimethylamino)-2-ethyl-2-(3-methoxyphenyl)pentanenitrile?
5-(dimethylamino)-2-ethyl-2-(3-methoxyphenyl)pentanenitrile has a molecular weight of 260.38 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-ethyl-2-(3-methoxyphenyl)pentanenitrile is sourced from PubChem (CID 154344406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).