2-(cyclopropylamino)-2-ethyl-5-methylsulfanylpentanenitrile

C11H20N2S — CID 106805271

IUPAC2-(cyclopropylamino)-2-ethyl-5-methylsulfanylpentanenitrile
SMILESCCC(C#N)(CCCSC)NC1CC1
InChIInChI=1S/C11H20N2S/c1-3-11(9-12,7-4-8-14-2)13-10-5-6-10/h10,13H,3-8H2,1-2H3
InChIKeyFZXACUXOCFAEJQ-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.55
Rot. Bonds7

About 2-(cyclopropylamino)-2-ethyl-5-methylsulfanylpentanenitrile

2-(cyclopropylamino)-2-ethyl-5-methylsulfanylpentanenitrile (PubChem CID 106805271) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-ethyl-5-methylsulfanylpentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-ethyl-5-methylsulfanylpentanenitrile
PubChem CID106805271
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2-(cyclopropylamino)-2-ethyl-5-methylsulfanylpentanenitrile
SMILESCCC(C#N)(CCCSC)NC1CC1
InChIInChI=1S/C11H20N2S/c1-3-11(9-12,7-4-8-14-2)13-10-5-6-10/h10,13H,3-8H2,1-2H3
InChIKeyFZXACUXOCFAEJQ-UHFFFAOYSA-N
XLogP2.55
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-tert-butylsulfanyl-2-(cyclopropylamino)-2-ethylpentanenitrile
CID 106805078
2-(cyclopropylamino)-2-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentanenitrile
CID 106805516
2-(cyclopropylamino)-5-(dibutylamino)-2-ethylpentanenitrile
CID 106802939
2-(cyclopropylamino)-5-(2,5-dimethylphenyl)sulfanyl-2-ethylpentanenitrile
CID 106805224
2-(cyclopropylamino)-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-ethylpentanenitrile
CID 106924825
2-(cyclopropylamino)-2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pentanenitrile
CID 106805499
2-(cyclopropylamino)-2-ethyl-5-(1-methylpyrazol-4-yl)sulfanylpentanenitrile
CID 106805297
5-[(2-chlorophenyl)methylsulfanyl]-2-(cyclopropylamino)-2-ethylpentanenitrile
CID 106805548
2-(cyclopropylamino)-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethylpentanenitrile
CID 106804019
2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentanenitrile
CID 106804902
2-(cyclopropylamino)-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanenitrile
CID 106802975
2-(cyclopropylamino)-2-ethyl-5-[pentyl(propan-2-yl)amino]pentanenitrile
CID 106803291

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-ethyl-5-methylsulfanylpentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-2-ethyl-5-methylsulfanylpentanenitrile (CID 106805271) is 2-(cyclopropylamino)-2-ethyl-5-methylsulfanylpentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-ethyl-5-methylsulfanylpentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-ethyl-5-methylsulfanylpentanenitrile is CCC(C#N)(CCCSC)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-ethyl-5-methylsulfanylpentanenitrile?
The InChIKey is FZXACUXOCFAEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-3-11(9-12,7-4-8-14-2)13-10-5-6-10/h10,13H,3-8H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-ethyl-5-methylsulfanylpentanenitrile?
2-(cyclopropylamino)-2-ethyl-5-methylsulfanylpentanenitrile has a molecular weight of 212.36 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-ethyl-5-methylsulfanylpentanenitrile is sourced from PubChem (CID 106805271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).