2-ethyl-2-(ethylamino)-5-(2-methoxyethylsulfanyl)pentanenitrile

C12H24N2OS — CID 106805031

IUPAC2-ethyl-2-(ethylamino)-5-(2-methoxyethylsulfanyl)pentanenitrile
SMILESCCNC(C#N)(CC)CCCSCCOC
InChIInChI=1S/C12H24N2OS/c1-4-12(11-13,14-5-2)7-6-9-16-10-8-15-3/h14H,4-10H2,1-3H3
InChIKeyYBFBXONOKURBIB-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.43
Rot. Bonds10

About 2-ethyl-2-(ethylamino)-5-(2-methoxyethylsulfanyl)pentanenitrile

2-ethyl-2-(ethylamino)-5-(2-methoxyethylsulfanyl)pentanenitrile (PubChem CID 106805031) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-(2-methoxyethylsulfanyl)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-(2-methoxyethylsulfanyl)pentanenitrile
PubChem CID106805031
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name2-ethyl-2-(ethylamino)-5-(2-methoxyethylsulfanyl)pentanenitrile
SMILESCCNC(C#N)(CC)CCCSCCOC
InChIInChI=1S/C12H24N2OS/c1-4-12(11-13,14-5-2)7-6-9-16-10-8-15-3/h14H,4-10H2,1-3H3
InChIKeyYBFBXONOKURBIB-UHFFFAOYSA-N
XLogP2.43
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-5-(2-hydroxyethylsulfanyl)-2-(propylamino)pentanenitrile
CID 106805061
2-ethyl-2-(ethylamino)-5-propan-2-yloxypentanenitrile
CID 106804405
2-ethyl-2-(methylamino)-5-pentylsulfanylpentanenitrile
CID 107754893
2-ethyl-2-(ethylamino)-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanenitrile
CID 106804946
2-ethyl-5-(3-methylbutylsulfanyl)-2-(propylamino)pentanenitrile
CID 107755114
5-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803296
5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106924769
5-(4-ethoxyphenoxy)-2-ethyl-2-(ethylamino)pentanenitrile
CID 106804498
2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(propylamino)pentanenitrile
CID 106804978
2-ethyl-5-(2-hydroxyethylsulfanyl)-2-(propan-2-ylamino)pentanenitrile
CID 106805056
5-(2,5-difluorophenyl)sulfanyl-2-ethyl-2-(ethylamino)pentanenitrile
CID 106805243
5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentanenitrile
CID 106804829

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-(2-methoxyethylsulfanyl)pentanenitrile?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-(2-methoxyethylsulfanyl)pentanenitrile (CID 106805031) is 2-ethyl-2-(ethylamino)-5-(2-methoxyethylsulfanyl)pentanenitrile.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-(2-methoxyethylsulfanyl)pentanenitrile?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-(2-methoxyethylsulfanyl)pentanenitrile is CCNC(C#N)(CC)CCCSCCOC.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-(2-methoxyethylsulfanyl)pentanenitrile?
The InChIKey is YBFBXONOKURBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-4-12(11-13,14-5-2)7-6-9-16-10-8-15-3/h14H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-2-(ethylamino)-5-(2-methoxyethylsulfanyl)pentanenitrile?
2-ethyl-2-(ethylamino)-5-(2-methoxyethylsulfanyl)pentanenitrile has a molecular weight of 244.40 g/mol, XLogP of 2.43, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(ethylamino)-5-(2-methoxyethylsulfanyl)pentanenitrile is sourced from PubChem (CID 106805031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).