4,4-dimethyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-ol

C13H27NOS — CID 112665066

IUPAC4,4-dimethyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-ol
SMILESCSCCN(C)CC1CC(C)(C)CCC1O
InChIInChI=1S/C13H27NOS/c1-13(2)6-5-12(15)11(9-13)10-14(3)7-8-16-4/h11-12,15H,5-10H2,1-4H3
InChIKeyRRRAWYHWUCGWSJ-UHFFFAOYSA-N
MW245.43 g/mol
LogP2.47
Rot. Bonds5

About 4,4-dimethyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-ol

4,4-dimethyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-ol (PubChem CID 112665066) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is 4,4-dimethyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-ol
PubChem CID112665066
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name4,4-dimethyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-ol
SMILESCSCCN(C)CC1CC(C)(C)CCC1O
InChIInChI=1S/C13H27NOS/c1-13(2)6-5-12(15)11(9-13)10-14(3)7-8-16-4/h11-12,15H,5-10H2,1-4H3
InChIKeyRRRAWYHWUCGWSJ-UHFFFAOYSA-N
XLogP2.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

2-[[bis(3-methylbutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 107871182
2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 102871126
2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 79378005
2-(2-hydroxy-5,5-dimethylcyclohexyl)acetic acid
CID 82405792
4-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine
CID 112664797
2,2-dimethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-one
CID 112664506
3-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-amine
CID 103060776
cis-(1R,2S)-2-amino-4,4-dimethylcyclohexan-1-ol
CID 55291251
N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine
CID 72665446
4-[[(2-amino-5,5-dimethylcyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114953600
2-[[methyl(2-methylsulfanylethyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 112664707
2-[[3-ethylsulfanylpropyl(methyl)amino]methyl]cyclohexan-1-ol
CID 115968519

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4,4-dimethyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-ol (CID 112665066) is 4,4-dimethyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4,4-dimethyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4,4-dimethyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-ol is CSCCN(C)CC1CC(C)(C)CCC1O.
What is the InChIKey of 4,4-dimethyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is RRRAWYHWUCGWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-13(2)6-5-12(15)11(9-13)10-14(3)7-8-16-4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 4,4-dimethyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-ol?
4,4-dimethyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 245.43 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 112665066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).