2-(ethylamino)-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanenitrile

C11H22N2S — CID 107755000

IUPAC2-(ethylamino)-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanenitrile
SMILESCCNC(C)(C#N)CSC(C)C(C)C
InChIInChI=1S/C11H22N2S/c1-6-13-11(5,7-12)8-14-10(4)9(2)3/h9-10,13H,6,8H2,1-5H3
InChIKeyIAHOMIHWVDKAHJ-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.66
Rot. Bonds6

About 2-(ethylamino)-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanenitrile

2-(ethylamino)-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanenitrile (PubChem CID 107755000) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanenitrile
PubChem CID107755000
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name2-(ethylamino)-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanenitrile
SMILESCCNC(C)(C#N)CSC(C)C(C)C
InChIInChI=1S/C11H22N2S/c1-6-13-11(5,7-12)8-14-10(4)9(2)3/h9-10,13H,6,8H2,1-5H3
InChIKeyIAHOMIHWVDKAHJ-UHFFFAOYSA-N
XLogP2.66
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanenitrile
CID 66137296
2-(ethylamino)-4-ethylsulfanyl-2-methylpentanenitrile
CID 64709571
4-butylsulfanyl-2-(ethylamino)-2-methylpentanenitrile
CID 64728234
3-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanenitrile
CID 107771651
2-(ethylamino)-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanenitrile
CID 64726878
2-(ethylamino)-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanamide
CID 107755689
4-(diethylamino)-2-(ethylamino)-2-methylpentanenitrile
CID 64696931
2-(ethylamino)-3-methyl-2-propan-2-ylbutanenitrile
CID 141254263
2-(ethylamino)-2-methyl-3-(2-methylsulfonylethylsulfanyl)propanenitrile
CID 63659246
3-(3-methylbutan-2-ylsulfanyl)-2-phenyl-2-(propylamino)propanenitrile
CID 107754942
4-[bis(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanenitrile
CID 107870928
4-(azepan-1-yl)-2-(ethylamino)-2-methylpentanenitrile
CID 64697350

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanenitrile?
The IUPAC name of 2-(ethylamino)-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanenitrile (CID 107755000) is 2-(ethylamino)-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanenitrile.
What is the SMILES notation for 2-(ethylamino)-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanenitrile?
The canonical SMILES for 2-(ethylamino)-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanenitrile is CCNC(C)(C#N)CSC(C)C(C)C.
What is the InChIKey of 2-(ethylamino)-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanenitrile?
The InChIKey is IAHOMIHWVDKAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-6-13-11(5,7-12)8-14-10(4)9(2)3/h9-10,13H,6,8H2,1-5H3.
What are the key properties of 2-(ethylamino)-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanenitrile?
2-(ethylamino)-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanenitrile has a molecular weight of 214.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanenitrile is sourced from PubChem (CID 107755000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).