3-[cyclopropyl(3-ethylsulfanylpropyl)amino]propanenitrile

C11H20N2S — CID 115666797

IUPAC3-[cyclopropyl(3-ethylsulfanylpropyl)amino]propanenitrile
SMILESCCSCCCN(CCC#N)C1CC1
InChIInChI=1S/C11H20N2S/c1-2-14-10-4-9-13(8-3-7-12)11-5-6-11/h11H,2-6,8-10H2,1H3
InChIKeyBANOHVRMLMWBET-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.51
Rot. Bonds8

About 3-[cyclopropyl(3-ethylsulfanylpropyl)amino]propanenitrile

3-[cyclopropyl(3-ethylsulfanylpropyl)amino]propanenitrile (PubChem CID 115666797) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 3-[cyclopropyl(3-ethylsulfanylpropyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[cyclopropyl(3-ethylsulfanylpropyl)amino]propanenitrile
PubChem CID115666797
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name3-[cyclopropyl(3-ethylsulfanylpropyl)amino]propanenitrile
SMILESCCSCCCN(CCC#N)C1CC1
InChIInChI=1S/C11H20N2S/c1-2-14-10-4-9-13(8-3-7-12)11-5-6-11/h11H,2-6,8-10H2,1H3
InChIKeyBANOHVRMLMWBET-UHFFFAOYSA-N
XLogP2.51
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclopropyl(3-fluoropropyl)amino]propanenitrile
CID 81105424
3-[cyclopropyl(5-hydroxypentyl)amino]propanenitrile
CID 62229709
3-[cyclopropyl(6-hydroxyhexyl)amino]propanenitrile
CID 103738654
2-[3-[cyclopropyl(2-hydroxyethyl)amino]propylsulfanyl]acetonitrile
CID 111510752
3-[ethyl-(4-methylcyclohexyl)amino]propanenitrile
CID 62048384
2-[cyclopentyl(2-ethylsulfanylethyl)amino]acetonitrile
CID 115647788
N-(3-ethylsulfanylpropyl)-N-propylpyrrolidin-3-amine
CID 115741376
3-[N-(3-ethylsulfanylpropyl)anilino]propanenitrile
CID 113473568
3-[cyclopropyl(2-oxoethyl)amino]propanenitrile
CID 62037220
3-[2-cyanoethyl(cyclopropyl)amino]-N,N-dimethylpropanamide
CID 55149424
3-[cyclopropyl(2,2-diethoxyethyl)amino]propanenitrile
CID 63619038
ethane;3-ethylsulfanylpropanenitrile
CID 142187539

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(3-ethylsulfanylpropyl)amino]propanenitrile?
The IUPAC name of 3-[cyclopropyl(3-ethylsulfanylpropyl)amino]propanenitrile (CID 115666797) is 3-[cyclopropyl(3-ethylsulfanylpropyl)amino]propanenitrile.
What is the SMILES notation for 3-[cyclopropyl(3-ethylsulfanylpropyl)amino]propanenitrile?
The canonical SMILES for 3-[cyclopropyl(3-ethylsulfanylpropyl)amino]propanenitrile is CCSCCCN(CCC#N)C1CC1.
What is the InChIKey of 3-[cyclopropyl(3-ethylsulfanylpropyl)amino]propanenitrile?
The InChIKey is BANOHVRMLMWBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-2-14-10-4-9-13(8-3-7-12)11-5-6-11/h11H,2-6,8-10H2,1H3.
What are the key properties of 3-[cyclopropyl(3-ethylsulfanylpropyl)amino]propanenitrile?
3-[cyclopropyl(3-ethylsulfanylpropyl)amino]propanenitrile has a molecular weight of 212.36 g/mol, XLogP of 2.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(3-ethylsulfanylpropyl)amino]propanenitrile is sourced from PubChem (CID 115666797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).