1-(ethylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile

C13H24N2S — CID 79636546

IUPAC1-(ethylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(SCC(C)C)C1
InChIInChI=1S/C13H24N2S/c1-4-15-13(10-14)7-5-6-12(8-13)16-9-11(2)3/h11-12,15H,4-9H2,1-3H3
InChIKeyMOPGSWBGSBMRDN-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.19
Rot. Bonds5

About 1-(ethylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile

1-(ethylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile (PubChem CID 79636546) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 1-(ethylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile
PubChem CID79636546
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name1-(ethylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(SCC(C)C)C1
InChIInChI=1S/C13H24N2S/c1-4-15-13(10-14)7-5-6-12(8-13)16-9-11(2)3/h11-12,15H,4-9H2,1-3H3
InChIKeyMOPGSWBGSBMRDN-UHFFFAOYSA-N
XLogP3.19
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile
CID 79636467
1-(ethylamino)-3-(3-hydroxy-2-methylpropyl)sulfanylcyclopentane-1-carbonitrile
CID 79649917
1-(methylamino)-3-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile
CID 79649504
1-(ethylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carbonitrile
CID 106495474
1-(propan-2-ylamino)-3-propylsulfanylcyclohexane-1-carbonitrile
CID 79637084
3-(3-hydroxy-2-methylpropyl)sulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79636028
1-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclohexane-1-carbonitrile
CID 79636099
1-(ethylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentane-1-carbonitrile
CID 107754976
1-(ethylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclohexane-1-carbonitrile
CID 106448783
1-(ethylamino)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
CID 79636719
1-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carbonitrile
CID 79650156
1-(ethylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carbonitrile
CID 79625121

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile (CID 79636546) is 1-(ethylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile is CCNC1(C#N)CCCC(SCC(C)C)C1.
What is the InChIKey of 1-(ethylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile?
The InChIKey is MOPGSWBGSBMRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-4-15-13(10-14)7-5-6-12(8-13)16-9-11(2)3/h11-12,15H,4-9H2,1-3H3.
What are the key properties of 1-(ethylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile?
1-(ethylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile has a molecular weight of 240.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79636546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).