4-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine

C16H34N2S — CID 112665039

IUPAC4-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1CN(C)C(C)CSC
InChIInChI=1S/C16H34N2S/c1-6-9-17-16-8-7-13(2)10-15(16)11-18(4)14(3)12-19-5/h13-17H,6-12H2,1-5H3
InChIKeyKBYHYAPHGXGRFY-UHFFFAOYSA-N
MW286.53 g/mol
LogP3.47
Rot. Bonds8

About 4-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine

4-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine (PubChem CID 112665039) has the molecular formula C16H34N2S and a molecular weight of 286.53 g/mol. Its IUPAC name is 4-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine
PubChem CID112665039
Molecular FormulaC16H34N2S
Molecular Weight286.53 g/mol
Exact Mass286.24
IUPAC Name4-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1CN(C)C(C)CSC
InChIInChI=1S/C16H34N2S/c1-6-9-17-16-8-7-13(2)10-15(16)11-18(4)14(3)12-19-5/h13-17H,6-12H2,1-5H3
InChIKeyKBYHYAPHGXGRFY-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 4-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine (CID 112665039) is 4-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine is CCCNC1CCC(C)CC1CN(C)C(C)CSC.
What is the InChIKey of 4-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine?
The InChIKey is KBYHYAPHGXGRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2S/c1-6-9-17-16-8-7-13(2)10-15(16)11-18(4)14(3)12-19-5/h13-17H,6-12H2,1-5H3.
What are the key properties of 4-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine?
4-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine has a molecular weight of 286.53 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 112665039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).