2-[[3-ethylsulfanylpropyl(methyl)amino]methyl]cyclohexan-1-ol

C13H27NOS — CID 115968519

IUPAC2-[[3-ethylsulfanylpropyl(methyl)amino]methyl]cyclohexan-1-ol
SMILESCCSCCCN(C)CC1CCCCC1O
InChIInChI=1S/C13H27NOS/c1-3-16-10-6-9-14(2)11-12-7-4-5-8-13(12)15/h12-13,15H,3-11H2,1-2H3
InChIKeyNWKKJDKPAXYNTA-UHFFFAOYSA-N
MW245.43 g/mol
LogP2.61
Rot. Bonds7

About 2-[[3-ethylsulfanylpropyl(methyl)amino]methyl]cyclohexan-1-ol

2-[[3-ethylsulfanylpropyl(methyl)amino]methyl]cyclohexan-1-ol (PubChem CID 115968519) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is 2-[[3-ethylsulfanylpropyl(methyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[3-ethylsulfanylpropyl(methyl)amino]methyl]cyclohexan-1-ol
PubChem CID115968519
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name2-[[3-ethylsulfanylpropyl(methyl)amino]methyl]cyclohexan-1-ol
SMILESCCSCCCN(C)CC1CCCCC1O
InChIInChI=1S/C13H27NOS/c1-3-16-10-6-9-14(2)11-12-7-4-5-8-13(12)15/h12-13,15H,3-11H2,1-2H3
InChIKeyNWKKJDKPAXYNTA-UHFFFAOYSA-N
XLogP2.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopentan-1-ol
CID 63211351
2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclopentan-1-ol
CID 63866134
2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclohexan-1-ol
CID 62609026
2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-ol
CID 62608844
2-[[methyl(pentyl)amino]methyl]cyclohexan-1-amine
CID 62614941
2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cyclohexan-1-ol
CID 113356313
1-[2-[(2-hydroxycyclopentyl)methyl-methylamino]ethyl]pyrrolidine-2,5-dione
CID 109397805
2-[[cyclopropyl(methyl)amino]methyl]cycloheptan-1-ol
CID 62609891
3-[[butyl(methyl)amino]methyl]oxan-4-ol
CID 103061166
2-[[3-(2-methoxyphenyl)propyl-methylamino]methyl]cyclopentan-1-ol
CID 110019478
2-[[3-(3-fluorophenyl)propyl-methylamino]methyl]cyclopentan-1-ol
CID 110009639
2-[[butan-2-yl(methyl)amino]methyl]cycloheptan-1-ol
CID 62611279

Frequently Asked Questions

What is the IUPAC name of 2-[[3-ethylsulfanylpropyl(methyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[3-ethylsulfanylpropyl(methyl)amino]methyl]cyclohexan-1-ol (CID 115968519) is 2-[[3-ethylsulfanylpropyl(methyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[3-ethylsulfanylpropyl(methyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[3-ethylsulfanylpropyl(methyl)amino]methyl]cyclohexan-1-ol is CCSCCCN(C)CC1CCCCC1O.
What is the InChIKey of 2-[[3-ethylsulfanylpropyl(methyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is NWKKJDKPAXYNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-3-16-10-6-9-14(2)11-12-7-4-5-8-13(12)15/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 2-[[3-ethylsulfanylpropyl(methyl)amino]methyl]cyclohexan-1-ol?
2-[[3-ethylsulfanylpropyl(methyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 245.43 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-ethylsulfanylpropyl(methyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 115968519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).