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

C18H29N3 — CID 106802768

IUPAC2-ethyl-2-(ethylamino)-5-(N-ethyl-2-methylanilino)pentanenitrile
SMILESCCNC(C#N)(CC)CCCN(CC)c1ccccc1C
InChIInChI=1S/C18H29N3/c1-5-18(15-19,20-6-2)13-10-14-21(7-3)17-12-9-8-11-16(17)4/h8-9,11-12,20H,5-7,10,13-14H2,1-4H3
InChIKeyDJAYQJJLPKMYQV-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.88
Rot. Bonds9

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

2-ethyl-2-(ethylamino)-5-(N-ethyl-2-methylanilino)pentanenitrile (PubChem CID 106802768) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-(N-ethyl-2-methylanilino)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-(N-ethyl-2-methylanilino)pentanenitrile
PubChem CID106802768
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2-ethyl-2-(ethylamino)-5-(N-ethyl-2-methylanilino)pentanenitrile
SMILESCCNC(C#N)(CC)CCCN(CC)c1ccccc1C
InChIInChI=1S/C18H29N3/c1-5-18(15-19,20-6-2)13-10-14-21(7-3)17-12-9-8-11-16(17)4/h8-9,11-12,20H,5-7,10,13-14H2,1-4H3
InChIKeyDJAYQJJLPKMYQV-UHFFFAOYSA-N
XLogP3.88
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(ethylamino)-5-(N-ethyl-4-methylanilino)pentanenitrile
CID 106803455
2-ethyl-2-(ethylamino)-5-(2-methoxy-N-methylanilino)pentanenitrile
CID 106803437
2-ethyl-2-(ethylamino)-5-(N,3,5-trimethylanilino)pentanenitrile
CID 106803449
2-ethyl-5-(N-ethyl-2-methylanilino)-2-(methylamino)pentanoic acid
CID 106805572
N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2-methylphenyl)ethane-1,2-diamine
CID 62573232
2-ethyl-2-(ethylamino)-5-[methyl(2-pyridin-2-ylethyl)amino]pentanenitrile
CID 106802785
2-ethyl-2-(ethylamino)-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile
CID 106803716
2-ethyl-2-(ethylamino)-5-(2,3,6-trimethylphenoxy)pentanenitrile
CID 106804621
N'-ethyl-N'-(2-methylphenyl)-N-phenylpropane-1,3-diamine
CID 63503025
5-(N-ethyl-2-fluoroanilino)-2,2-dimethylpentanenitrile
CID 65257896
5-(benzimidazol-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile
CID 106804115
1-amino-6-(N-ethyl-2-methylanilino)-2-methylhexan-2-ol
CID 64818535

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-(N-ethyl-2-methylanilino)pentanenitrile?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-(N-ethyl-2-methylanilino)pentanenitrile (CID 106802768) is 2-ethyl-2-(ethylamino)-5-(N-ethyl-2-methylanilino)pentanenitrile.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-(N-ethyl-2-methylanilino)pentanenitrile?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-(N-ethyl-2-methylanilino)pentanenitrile is CCNC(C#N)(CC)CCCN(CC)c1ccccc1C.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-(N-ethyl-2-methylanilino)pentanenitrile?
The InChIKey is DJAYQJJLPKMYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-5-18(15-19,20-6-2)13-10-14-21(7-3)17-12-9-8-11-16(17)4/h8-9,11-12,20H,5-7,10,13-14H2,1-4H3.
What are the key properties of 2-ethyl-2-(ethylamino)-5-(N-ethyl-2-methylanilino)pentanenitrile?
2-ethyl-2-(ethylamino)-5-(N-ethyl-2-methylanilino)pentanenitrile has a molecular weight of 287.45 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(ethylamino)-5-(N-ethyl-2-methylanilino)pentanenitrile is sourced from PubChem (CID 106802768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).