2-[methyl(2-methylsulfanylethyl)amino]cyclohexane-1-carbonitrile

C11H20N2S — CID 112659563

IUPAC2-[methyl(2-methylsulfanylethyl)amino]cyclohexane-1-carbonitrile
SMILESCSCCN(C)C1CCCCC1C#N
InChIInChI=1S/C11H20N2S/c1-13(7-8-14-2)11-6-4-3-5-10(11)9-12/h10-11H,3-8H2,1-2H3
InChIKeyMMWBNEYJBHHIAP-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.36
Rot. Bonds4

About 2-[methyl(2-methylsulfanylethyl)amino]cyclohexane-1-carbonitrile

2-[methyl(2-methylsulfanylethyl)amino]cyclohexane-1-carbonitrile (PubChem CID 112659563) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-[methyl(2-methylsulfanylethyl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[methyl(2-methylsulfanylethyl)amino]cyclohexane-1-carbonitrile
PubChem CID112659563
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2-[methyl(2-methylsulfanylethyl)amino]cyclohexane-1-carbonitrile
SMILESCSCCN(C)C1CCCCC1C#N
InChIInChI=1S/C11H20N2S/c1-13(7-8-14-2)11-6-4-3-5-10(11)9-12/h10-11H,3-8H2,1-2H3
InChIKeyMMWBNEYJBHHIAP-UHFFFAOYSA-N
XLogP2.36
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-2-N-(2-methylsulfanylethyl)cyclohexane-1,2-diamine
CID 112663651
2-[methyl(3-methylbutyl)amino]cyclopentane-1-carbonitrile
CID 61430050
2-(dimethylamino)cycloheptane-1-carbonitrile
CID 43291764
2-[(2-cyanocyclohexyl)-methylamino]-N,N-diethylacetamide
CID 54946712
2-[methyl(2-methylbutyl)amino]cyclopentane-1-carbonitrile
CID 43295782
2-[(2-hydroxy-2-methylpropyl)-methylamino]cycloheptane-1-carbonitrile
CID 79382333
2-[(2-cyanocycloheptyl)-methylamino]-N,N-diethylacetamide
CID 61451215
2-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carbonitrile
CID 60892330
2-[(4-fluorophenyl)methyl-methylamino]cyclohexane-1-carbonitrile
CID 61412971
2-[methyl-(2-methylcyclohexyl)amino]cyclohexane-1-carbonitrile
CID 55004832
2-chloro-N-methyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine
CID 102637401
2-(2-methylsulfanylethylamino)cycloheptane-1-carbonitrile
CID 63965986

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylsulfanylethyl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[methyl(2-methylsulfanylethyl)amino]cyclohexane-1-carbonitrile (CID 112659563) is 2-[methyl(2-methylsulfanylethyl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[methyl(2-methylsulfanylethyl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[methyl(2-methylsulfanylethyl)amino]cyclohexane-1-carbonitrile is CSCCN(C)C1CCCCC1C#N.
What is the InChIKey of 2-[methyl(2-methylsulfanylethyl)amino]cyclohexane-1-carbonitrile?
The InChIKey is MMWBNEYJBHHIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-13(7-8-14-2)11-6-4-3-5-10(11)9-12/h10-11H,3-8H2,1-2H3.
What are the key properties of 2-[methyl(2-methylsulfanylethyl)amino]cyclohexane-1-carbonitrile?
2-[methyl(2-methylsulfanylethyl)amino]cyclohexane-1-carbonitrile has a molecular weight of 212.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylsulfanylethyl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 112659563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).