1-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol

C12H25NOS — CID 115664275

IUPAC1-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol
SMILESCSC(C)(C)CNCC1(O)CCCCC1
InChIInChI=1S/C12H25NOS/c1-11(2,15-3)9-13-10-12(14)7-5-4-6-8-12/h13-14H,4-10H2,1-3H3
InChIKeyMPYJMOXLAAIBKF-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.41
Rot. Bonds5

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

1-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol (PubChem CID 115664275) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 1-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol
PubChem CID115664275
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name1-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol
SMILESCSC(C)(C)CNCC1(O)CCCCC1
InChIInChI=1S/C12H25NOS/c1-11(2,15-3)9-13-10-12(14)7-5-4-6-8-12/h13-14H,4-10H2,1-3H3
InChIKeyMPYJMOXLAAIBKF-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol
CID 106246909
1-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]cyclopentan-1-ol
CID 65210742
1-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]cyclopentan-1-ol
CID 106146862
1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclohexan-1-ol
CID 106175972
1-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]cyclohexan-1-ol
CID 106254028
methyl 3-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylpropanoate
CID 79623676
1-[(tert-butylamino)methyl]cyclooctan-1-ol
CID 62774336
N'-hydroxy-4-[(1-hydroxycycloheptyl)methylamino]-2,2-dimethylbutanimidamide
CID 77062740
1-[(prop-2-ynylamino)methyl]cyclopentan-1-ol
CID 65105370
1-[[(1-methylcyclopentyl)methylamino]methyl]cyclopentan-1-ol
CID 65211055
1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 65120782
1-[(2,3-dimethylbutylamino)methyl]cycloheptan-1-ol
CID 64568933

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol (CID 115664275) is 1-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol is CSC(C)(C)CNCC1(O)CCCCC1.
What is the InChIKey of 1-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is MPYJMOXLAAIBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-11(2,15-3)9-13-10-12(14)7-5-4-6-8-12/h13-14H,4-10H2,1-3H3.
What are the key properties of 1-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol?
1-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 231.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 115664275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).