1-(4-methylcyclohexyl)oxy-3-(2-methylsulfanylethylamino)propan-2-ol

C13H27NO2S — CID 63964882

IUPAC1-(4-methylcyclohexyl)oxy-3-(2-methylsulfanylethylamino)propan-2-ol
SMILESCSCCNCC(O)COC1CCC(C)CC1
InChIInChI=1S/C13H27NO2S/c1-11-3-5-13(6-4-11)16-10-12(15)9-14-7-8-17-2/h11-15H,3-10H2,1-2H3
InChIKeyUALZIKSQDGREKS-UHFFFAOYSA-N
MW261.43 g/mol
LogP1.90
Rot. Bonds8

About 1-(4-methylcyclohexyl)oxy-3-(2-methylsulfanylethylamino)propan-2-ol

1-(4-methylcyclohexyl)oxy-3-(2-methylsulfanylethylamino)propan-2-ol (PubChem CID 63964882) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)oxy-3-(2-methylsulfanylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)oxy-3-(2-methylsulfanylethylamino)propan-2-ol
PubChem CID63964882
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name1-(4-methylcyclohexyl)oxy-3-(2-methylsulfanylethylamino)propan-2-ol
SMILESCSCCNCC(O)COC1CCC(C)CC1
InChIInChI=1S/C13H27NO2S/c1-11-3-5-13(6-4-11)16-10-12(15)9-14-7-8-17-2/h11-15H,3-10H2,1-2H3
InChIKeyUALZIKSQDGREKS-UHFFFAOYSA-N
XLogP1.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226621
1-(2-methoxyethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60632831
3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide
CID 54938914
1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol
CID 107152434
1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62977053
1-(4-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
CID 106045618
1-(4-methylcyclohexyl)oxy-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63711316
1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633137
1-(4-methylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61040454
1-cyclopentyloxy-3-(2-ethoxyethylamino)propan-2-ol
CID 60909932
2,2-difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-1-ol
CID 106176234
1-(4-methylcyclohexyl)oxy-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
CID 106291617

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)oxy-3-(2-methylsulfanylethylamino)propan-2-ol?
The IUPAC name of 1-(4-methylcyclohexyl)oxy-3-(2-methylsulfanylethylamino)propan-2-ol (CID 63964882) is 1-(4-methylcyclohexyl)oxy-3-(2-methylsulfanylethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-methylcyclohexyl)oxy-3-(2-methylsulfanylethylamino)propan-2-ol?
The canonical SMILES for 1-(4-methylcyclohexyl)oxy-3-(2-methylsulfanylethylamino)propan-2-ol is CSCCNCC(O)COC1CCC(C)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)oxy-3-(2-methylsulfanylethylamino)propan-2-ol?
The InChIKey is UALZIKSQDGREKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-11-3-5-13(6-4-11)16-10-12(15)9-14-7-8-17-2/h11-15H,3-10H2,1-2H3.
What are the key properties of 1-(4-methylcyclohexyl)oxy-3-(2-methylsulfanylethylamino)propan-2-ol?
1-(4-methylcyclohexyl)oxy-3-(2-methylsulfanylethylamino)propan-2-ol has a molecular weight of 261.43 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)oxy-3-(2-methylsulfanylethylamino)propan-2-ol is sourced from PubChem (CID 63964882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).