1-(propylamino)-2-(2-propylsulfanylethyl)cyclopentane-1-carbonitrile

C14H26N2S — CID 79577245

IUPAC1-(propylamino)-2-(2-propylsulfanylethyl)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC1CCSCCC
InChIInChI=1S/C14H26N2S/c1-3-9-16-14(12-15)8-5-6-13(14)7-11-17-10-4-2/h13,16H,3-11H2,1-2H3
InChIKeyZZFFLXKOYKQDID-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.58
Rot. Bonds8

About 1-(propylamino)-2-(2-propylsulfanylethyl)cyclopentane-1-carbonitrile

1-(propylamino)-2-(2-propylsulfanylethyl)cyclopentane-1-carbonitrile (PubChem CID 79577245) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 1-(propylamino)-2-(2-propylsulfanylethyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(propylamino)-2-(2-propylsulfanylethyl)cyclopentane-1-carbonitrile
PubChem CID79577245
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name1-(propylamino)-2-(2-propylsulfanylethyl)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC1CCSCCC
InChIInChI=1S/C14H26N2S/c1-3-9-16-14(12-15)8-5-6-13(14)7-11-17-10-4-2/h13,16H,3-11H2,1-2H3
InChIKeyZZFFLXKOYKQDID-UHFFFAOYSA-N
XLogP3.58
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.58
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

2-[2-(3-hydroxypropylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79576737
2-[2-(3-hydroxy-2-methylpropyl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79577878
2-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 107755012
1-(propylamino)-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]cyclopentane-1-carbonitrile
CID 79576829
2-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79578195
2-[2-(3-bromophenyl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79577847
2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79564790
2-(2-butan-2-yloxyethyl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79578001
2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79577326
2-[2-(3-hydroxypropylsulfanyl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79576244
2-[2-(3-hydroxypropylsulfanyl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79576433
2-[2-(oxolan-3-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79578008

Frequently Asked Questions

What is the IUPAC name of 1-(propylamino)-2-(2-propylsulfanylethyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(propylamino)-2-(2-propylsulfanylethyl)cyclopentane-1-carbonitrile (CID 79577245) is 1-(propylamino)-2-(2-propylsulfanylethyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(propylamino)-2-(2-propylsulfanylethyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(propylamino)-2-(2-propylsulfanylethyl)cyclopentane-1-carbonitrile is CCCNC1(C#N)CCCC1CCSCCC.
What is the InChIKey of 1-(propylamino)-2-(2-propylsulfanylethyl)cyclopentane-1-carbonitrile?
The InChIKey is ZZFFLXKOYKQDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-3-9-16-14(12-15)8-5-6-13(14)7-11-17-10-4-2/h13,16H,3-11H2,1-2H3.
What are the key properties of 1-(propylamino)-2-(2-propylsulfanylethyl)cyclopentane-1-carbonitrile?
1-(propylamino)-2-(2-propylsulfanylethyl)cyclopentane-1-carbonitrile has a molecular weight of 254.44 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)-2-(2-propylsulfanylethyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79577245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).