4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanenitrile

C17H24N2S — CID 64709204

IUPAC4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)Sc1ccc2c(c1)CCC2
InChIInChI=1S/C17H24N2S/c1-4-19-17(3,12-18)11-13(2)20-16-9-8-14-6-5-7-15(14)10-16/h8-10,13,19H,4-7,11H2,1-3H3
InChIKeyFPRUTCKPFKNNKU-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.94
Rot. Bonds6

About 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanenitrile

4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanenitrile (PubChem CID 64709204) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanenitrile.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanenitrile
PubChem CID64709204
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)Sc1ccc2c(c1)CCC2
InChIInChI=1S/C17H24N2S/c1-4-19-17(3,12-18)11-13(2)20-16-9-8-14-6-5-7-15(14)10-16/h8-10,13,19H,4-7,11H2,1-3H3
InChIKeyFPRUTCKPFKNNKU-UHFFFAOYSA-N
XLogP3.94
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanamide
CID 64711312
2-methyl-4-(4-propan-2-ylphenyl)sulfanyl-2-(propylamino)pentanenitrile
CID 64711915
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine
CID 64705422
4-(3,4-dimethylphenyl)sulfanyl-2-methyl-2-(methylamino)pentanenitrile
CID 64709979
N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propyl]pentan-2-amine
CID 55196306
2-(ethylamino)-2-methyl-4-(1,3-thiazol-2-ylsulfanyl)pentanenitrile
CID 64709604
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylbutan-2-amine
CID 64647689
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylbutan-1-ol
CID 64807072
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpropanenitrile
CID 115129260
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanal
CID 165440470
2-methyl-4-(2-methylphenyl)sulfanyl-2-(propylamino)pentanenitrile
CID 64711154
methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoate
CID 60730756

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanenitrile?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanenitrile (CID 64709204) is 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanenitrile.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanenitrile?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanenitrile is CCNC(C)(C#N)CC(C)Sc1ccc2c(c1)CCC2.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanenitrile?
The InChIKey is FPRUTCKPFKNNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-4-19-17(3,12-18)11-13(2)20-16-9-8-14-6-5-7-15(14)10-16/h8-10,13,19H,4-7,11H2,1-3H3.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanenitrile?
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanenitrile has a molecular weight of 288.46 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanenitrile is sourced from PubChem (CID 64709204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).