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

C16H34N2S — CID 112664680

IUPAC4-tert-butyl-N-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1CN(C)CCSC
InChIInChI=1S/C16H34N2S/c1-16(2,3)14-7-8-15(17-4)13(11-14)12-18(5)9-10-19-6/h13-15,17H,7-12H2,1-6H3
InChIKeyNHIAYFMZCUHKDF-UHFFFAOYSA-N
MW286.53 g/mol
LogP3.33
Rot. Bonds6

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

4-tert-butyl-N-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine (PubChem CID 112664680) has the molecular formula C16H34N2S and a molecular weight of 286.53 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine
PubChem CID112664680
Molecular FormulaC16H34N2S
Molecular Weight286.53 g/mol
Exact Mass286.24
IUPAC Name4-tert-butyl-N-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1CN(C)CCSC
InChIInChI=1S/C16H34N2S/c1-16(2,3)14-7-8-15(17-4)13(11-14)12-18(5)9-10-19-6/h13-15,17H,7-12H2,1-6H3
InChIKeyNHIAYFMZCUHKDF-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl-methylamino]propan-2-ol
CID 62608989
4-tert-butyl-N-methyl-2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine
CID 63494004
4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 63483791
N-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl]-N-methylaniline
CID 63482857
2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine
CID 63401093
2-[[butan-2-yl(ethyl)amino]methyl]-4-tert-butyl-N-methylcyclohexan-1-amine
CID 63483811
4-tert-butyl-N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
CID 63493941
4-tert-butyl-N-methyl-2-pentylcyclohexan-1-amine
CID 63401228
4-tert-butyl-N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine
CID 115987570
4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine
CID 63401489
N,4-dimethyl-2-[[methyl(pentyl)amino]methyl]cyclohexan-1-amine
CID 62615388
4-tert-butyl-1-N,2-N-dimethyl-2-N-pentylcyclohexane-1,2-diamine
CID 63467911

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine (CID 112664680) is 4-tert-butyl-N-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine is CNC1CCC(C(C)(C)C)CC1CN(C)CCSC.
What is the InChIKey of 4-tert-butyl-N-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is NHIAYFMZCUHKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2S/c1-16(2,3)14-7-8-15(17-4)13(11-14)12-18(5)9-10-19-6/h13-15,17H,7-12H2,1-6H3.
What are the key properties of 4-tert-butyl-N-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine?
4-tert-butyl-N-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 286.53 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 112664680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).