2-(ethylamino)-4-ethylsulfanyl-2-methylpentanenitrile

C10H20N2S — CID 64709571

IUPAC2-(ethylamino)-4-ethylsulfanyl-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)SCC
InChIInChI=1S/C10H20N2S/c1-5-12-10(4,8-11)7-9(3)13-6-2/h9,12H,5-7H2,1-4H3
InChIKeyAPXOQRHUCTXLRY-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.41
Rot. Bonds6

About 2-(ethylamino)-4-ethylsulfanyl-2-methylpentanenitrile

2-(ethylamino)-4-ethylsulfanyl-2-methylpentanenitrile (PubChem CID 64709571) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-(ethylamino)-4-ethylsulfanyl-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-ethylsulfanyl-2-methylpentanenitrile
PubChem CID64709571
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name2-(ethylamino)-4-ethylsulfanyl-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)SCC
InChIInChI=1S/C10H20N2S/c1-5-12-10(4,8-11)7-9(3)13-6-2/h9,12H,5-7H2,1-4H3
InChIKeyAPXOQRHUCTXLRY-UHFFFAOYSA-N
XLogP2.41
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-ethylsulfanyl-2-methylpentanenitrile?
The IUPAC name of 2-(ethylamino)-4-ethylsulfanyl-2-methylpentanenitrile (CID 64709571) is 2-(ethylamino)-4-ethylsulfanyl-2-methylpentanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-ethylsulfanyl-2-methylpentanenitrile?
The canonical SMILES for 2-(ethylamino)-4-ethylsulfanyl-2-methylpentanenitrile is CCNC(C)(C#N)CC(C)SCC.
What is the InChIKey of 2-(ethylamino)-4-ethylsulfanyl-2-methylpentanenitrile?
The InChIKey is APXOQRHUCTXLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-5-12-10(4,8-11)7-9(3)13-6-2/h9,12H,5-7H2,1-4H3.
What are the key properties of 2-(ethylamino)-4-ethylsulfanyl-2-methylpentanenitrile?
2-(ethylamino)-4-ethylsulfanyl-2-methylpentanenitrile has a molecular weight of 200.35 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-ethylsulfanyl-2-methylpentanenitrile is sourced from PubChem (CID 64709571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).