2-ethyl-2-(ethylamino)-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile

C15H31N3 — CID 106803716

IUPAC2-ethyl-2-(ethylamino)-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile
SMILESCCNC(C#N)(CC)CCCN(C)C(C)(C)CC
InChIInChI=1S/C15H31N3/c1-7-14(4,5)18(6)12-10-11-15(8-2,13-16)17-9-3/h17H,7-12H2,1-6H3
InChIKeyWKSZTCCFDHEORR-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.17
Rot. Bonds9

About 2-ethyl-2-(ethylamino)-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile

2-ethyl-2-(ethylamino)-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile (PubChem CID 106803716) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile
PubChem CID106803716
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name2-ethyl-2-(ethylamino)-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile
SMILESCCNC(C#N)(CC)CCCN(C)C(C)(C)CC
InChIInChI=1S/C15H31N3/c1-7-14(4,5)18(6)12-10-11-15(8-2,13-16)17-9-3/h17H,7-12H2,1-6H3
InChIKeyWKSZTCCFDHEORR-UHFFFAOYSA-N
XLogP3.17
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[cyclopropylmethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803133
2-ethyl-2-(ethylamino)-5-(N,3,5-trimethylanilino)pentanenitrile
CID 106803449
2-ethyl-2-(ethylamino)-5-[methyl(2-pyrrolidin-1-ylethyl)amino]pentanenitrile
CID 106803619
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803224
2-ethyl-2-(ethylamino)-5-(2-methoxy-N-methylanilino)pentanenitrile
CID 106803437
2-methyl-2-(methylamino)-6-[methyl(2-methylbutan-2-yl)amino]hexanenitrile
CID 63966463
2-ethyl-2-(ethylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile
CID 106803158
2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile
CID 63965795
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803169
2-ethyl-2-(ethylamino)-5-(N-ethyl-4-methylanilino)pentanenitrile
CID 106803455
2-ethyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanenitrile
CID 106802943
2-(ethylamino)-2-methyl-5-[methyl(2-methylbutan-2-yl)amino]pentanamide
CID 63967557

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile (CID 106803716) is 2-ethyl-2-(ethylamino)-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile is CCNC(C#N)(CC)CCCN(C)C(C)(C)CC.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile?
The InChIKey is WKSZTCCFDHEORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-7-14(4,5)18(6)12-10-11-15(8-2,13-16)17-9-3/h17H,7-12H2,1-6H3.
What are the key properties of 2-ethyl-2-(ethylamino)-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile?
2-ethyl-2-(ethylamino)-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile has a molecular weight of 253.43 g/mol, XLogP of 3.17, 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-[methyl(2-methylbutan-2-yl)amino]pentanenitrile is sourced from PubChem (CID 106803716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).