4-tert-butyl-N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine

C18H38N2S — CID 115987570

IUPAC4-tert-butyl-N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine
SMILESCCNC1CCC(C(C)(C)C)CC1CN(C)C(C)CSC
InChIInChI=1S/C18H38N2S/c1-8-19-17-10-9-16(18(3,4)5)11-15(17)12-20(6)14(2)13-21-7/h14-17,19H,8-13H2,1-7H3
InChIKeyRDYWFBYYGSZRAT-UHFFFAOYSA-N
MW314.58 g/mol
LogP4.11
Rot. Bonds7

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

4-tert-butyl-N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine (PubChem CID 115987570) has the molecular formula C18H38N2S and a molecular weight of 314.58 g/mol. Its IUPAC name is 4-tert-butyl-N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine
PubChem CID115987570
Molecular FormulaC18H38N2S
Molecular Weight314.58 g/mol
Exact Mass314.28
IUPAC Name4-tert-butyl-N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine
SMILESCCNC1CCC(C(C)(C)C)CC1CN(C)C(C)CSC
InChIInChI=1S/C18H38N2S/c1-8-19-17-10-9-16(18(3,4)5)11-15(17)12-20(6)14(2)13-21-7/h14-17,19H,8-13H2,1-7H3
InChIKeyRDYWFBYYGSZRAT-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.58
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine with MolForge

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Related Compounds

N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine
CID 112664985
4-tert-butyl-2-[[cyclopropyl(methyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 62614673
4-tert-butyl-2-(diethylaminomethyl)-N-ethylcyclohexan-1-amine
CID 63483579
4-tert-butyl-N-methyl-2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine
CID 63494004
4-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine
CID 112665039
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N,4-diethylcyclohexan-1-amine
CID 63493475
4-tert-butyl-N-ethyl-2-[[ethyl(2-methoxyethyl)amino]methyl]cyclohexan-1-amine
CID 62610178
4-tert-butyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-one
CID 112664604
4-tert-butyl-N-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine
CID 112664680
4-tert-butyl-2-N-(cyclopentylmethyl)-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine
CID 63633145
2-[[butan-2-yl(ethyl)amino]methyl]-4-tert-butyl-N-methylcyclohexan-1-amine
CID 63483811
1-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl-methylamino]propan-2-ol
CID 62608989

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine (CID 115987570) is 4-tert-butyl-N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine is CCNC1CCC(C(C)(C)C)CC1CN(C)C(C)CSC.
What is the InChIKey of 4-tert-butyl-N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine?
The InChIKey is RDYWFBYYGSZRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2S/c1-8-19-17-10-9-16(18(3,4)5)11-15(17)12-20(6)14(2)13-21-7/h14-17,19H,8-13H2,1-7H3.
What are the key properties of 4-tert-butyl-N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine?
4-tert-butyl-N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine has a molecular weight of 314.58 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 115987570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).