2-ethyl-2-(ethylamino)-5-(2-methoxy-N-methylanilino)pentanenitrile

C17H27N3O — CID 106803437

IUPAC2-ethyl-2-(ethylamino)-5-(2-methoxy-N-methylanilino)pentanenitrile
SMILESCCNC(C#N)(CC)CCCN(C)c1ccccc1OC
InChIInChI=1S/C17H27N3O/c1-5-17(14-18,19-6-2)12-9-13-20(3)15-10-7-8-11-16(15)21-4/h7-8,10-11,19H,5-6,9,12-13H2,1-4H3
InChIKeyNTYJTRMMEYDFGQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.19
Rot. Bonds9

About 2-ethyl-2-(ethylamino)-5-(2-methoxy-N-methylanilino)pentanenitrile

2-ethyl-2-(ethylamino)-5-(2-methoxy-N-methylanilino)pentanenitrile (PubChem CID 106803437) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-(2-methoxy-N-methylanilino)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-(2-methoxy-N-methylanilino)pentanenitrile
PubChem CID106803437
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-ethyl-2-(ethylamino)-5-(2-methoxy-N-methylanilino)pentanenitrile
SMILESCCNC(C#N)(CC)CCCN(C)c1ccccc1OC
InChIInChI=1S/C17H27N3O/c1-5-17(14-18,19-6-2)12-9-13-20(3)15-10-7-8-11-16(15)21-4/h7-8,10-11,19H,5-6,9,12-13H2,1-4H3
InChIKeyNTYJTRMMEYDFGQ-UHFFFAOYSA-N
XLogP3.19
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-(ethylamino)-5-(N,3,5-trimethylanilino)pentanenitrile
CID 106803449
2-(ethylamino)-6-(2-methoxy-N-methylanilino)-2-methylhexan-1-ol
CID 64790716
2-ethyl-2-(ethylamino)-5-(N-ethyl-2-methylanilino)pentanenitrile
CID 106802768
2-(ethylamino)-4-(2-methoxy-N-methylanilino)-2-methylbutan-1-ol
CID 64791522
2-ethyl-2-(ethylamino)-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile
CID 106803716
2-methoxy-N-methyl-N-propylaniline
CID 23198488
2-ethyl-2-(ethylamino)-5-[methyl(2-pyridin-2-ylethyl)amino]pentanenitrile
CID 106802785
2-ethyl-2-(ethylamino)-5-(N-ethyl-4-methylanilino)pentanenitrile
CID 106803455
2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propylamino)propanenitrile
CID 63914238
5-(4-ethoxyphenoxy)-2-ethyl-2-(ethylamino)pentanenitrile
CID 106804498
5-[cyclopropylmethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803133
5-(N,2-dimethylanilino)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106808939

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-(2-methoxy-N-methylanilino)pentanenitrile?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-(2-methoxy-N-methylanilino)pentanenitrile (CID 106803437) is 2-ethyl-2-(ethylamino)-5-(2-methoxy-N-methylanilino)pentanenitrile.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-(2-methoxy-N-methylanilino)pentanenitrile?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-(2-methoxy-N-methylanilino)pentanenitrile is CCNC(C#N)(CC)CCCN(C)c1ccccc1OC.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-(2-methoxy-N-methylanilino)pentanenitrile?
The InChIKey is NTYJTRMMEYDFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-5-17(14-18,19-6-2)12-9-13-20(3)15-10-7-8-11-16(15)21-4/h7-8,10-11,19H,5-6,9,12-13H2,1-4H3.
What are the key properties of 2-ethyl-2-(ethylamino)-5-(2-methoxy-N-methylanilino)pentanenitrile?
2-ethyl-2-(ethylamino)-5-(2-methoxy-N-methylanilino)pentanenitrile has a molecular weight of 289.42 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(ethylamino)-5-(2-methoxy-N-methylanilino)pentanenitrile is sourced from PubChem (CID 106803437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).