4-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine

C12H26N2S — CID 112664797

IUPAC4-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine
SMILESCSCCN(C)CC1CC(C)CCC1N
InChIInChI=1S/C12H26N2S/c1-10-4-5-12(13)11(8-10)9-14(2)6-7-15-3/h10-12H,4-9,13H2,1-3H3
InChIKeyQFFNRTIIQXUWEX-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.04
Rot. Bonds5

About 4-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine

4-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine (PubChem CID 112664797) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is 4-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine
PubChem CID112664797
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC Name4-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine
SMILESCSCCN(C)CC1CC(C)CCC1N
InChIInChI=1S/C12H26N2S/c1-10-4-5-12(13)11(8-10)9-14(2)6-7-15-3/h10-12H,4-9,13H2,1-3H3
InChIKeyQFFNRTIIQXUWEX-UHFFFAOYSA-N
XLogP2.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 113544072
2,4-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 116615575
2-(aminomethyl)-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 116616956
4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine
CID 60663692
[3-Methyl-4-(methylamino)cyclohexyl]methanethiol
CID 147928988
ethane;4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine
CID 154694563
4-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylcyclohexan-1-amine
CID 20760595
4-methyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine
CID 28615144
2-methyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine
CID 43180666
N-[2-(aminomethyl)cyclohexyl]-N-methylthiolan-3-amine
CID 43530799
(2-Thiomorpholin-4-ylcyclohexyl)methanamine
CID 43530820
2-N-(4-ethylcyclohexyl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine
CID 54947949

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine (CID 112664797) is 4-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine is CSCCN(C)CC1CC(C)CCC1N.
What is the InChIKey of 4-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is QFFNRTIIQXUWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-10-4-5-12(13)11(8-10)9-14(2)6-7-15-3/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 4-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine?
4-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 230.42 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 112664797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).