1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-ol

C13H27NOS — CID 112663292

IUPAC1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCCC(CSC)N(C)CC1(O)CCCCC1
InChIInChI=1S/C13H27NOS/c1-4-12(10-16-3)14(2)11-13(15)8-6-5-7-9-13/h12,15H,4-11H2,1-3H3
InChIKeyOVXVUDSALOZRGL-UHFFFAOYSA-N
MW245.43 g/mol
LogP2.76
Rot. Bonds6

About 1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-ol

1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 112663292) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is 1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID112663292
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCCC(CSC)N(C)CC1(O)CCCCC1
InChIInChI=1S/C13H27NOS/c1-4-12(10-16-3)14(2)11-13(15)8-6-5-7-9-13/h12,15H,4-11H2,1-3H3
InChIKeyOVXVUDSALOZRGL-UHFFFAOYSA-N
XLogP2.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[1-(1,3-Thiazolidin-3-yl)ethyl]cyclohexan-1-ol
CID 69985764
1-(Thiomorpholin-4-ylmethyl)cyclohexan-1-ol
CID 61518433
1-[[Methyl(pentan-2-yl)amino]methyl]cyclohexan-1-ol
CID 61518695
1-[[(1,1-Dioxothiolan-3-yl)-methylamino]methyl]cyclohexan-1-ol
CID 61518781
1-[[Butan-2-yl(butyl)amino]methyl]cyclohexan-1-ol
CID 61518823
1-[[(2-Methyl-3-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol
CID 63964311
1-[(3-Methylsulfanylpropylamino)methyl]cyclohexan-1-ol
CID 63966266
1-[(2-Methylsulfanylethylamino)methyl]cyclohexan-1-ol
CID 63966669
1-[[Pentyl(propan-2-yl)amino]methyl]cyclohexan-1-ol
CID 65208029
1-[[Methyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol
CID 65208192
1-[[Methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol
CID 65208243
1-[(3-Methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol
CID 65208261

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-ol (CID 112663292) is 1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-ol is CCC(CSC)N(C)CC1(O)CCCCC1.
What is the InChIKey of 1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is OVXVUDSALOZRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-4-12(10-16-3)14(2)11-13(15)8-6-5-7-9-13/h12,15H,4-11H2,1-3H3.
What are the key properties of 1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-ol?
1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 245.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 112663292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).