2-[[1-[[1-[(2-hydroxyethylamino)methyl]cyclohexyl]disulfanyl]cyclohexyl]methylamino]ethanol

C18H36N2O2S2 — CID 10690967

IUPAC2-[[1-[[1-[(2-hydroxyethylamino)methyl]cyclohexyl]disulfanyl]cyclohexyl]methylamino]ethanol
SMILESOCCNCC1(SSC2(CNCCO)CCCCC2)CCCCC1
InChIInChI=1S/C18H36N2O2S2/c21-13-11-19-15-17(7-3-1-4-8-17)23-24-18(16-20-12-14-22)9-5-2-6-10-18/h19-22H,1-16H2
InChIKeyQXTMQUCUIGJZPX-UHFFFAOYSA-N
MW376.63 g/mol
LogP2.94
Rot. Bonds11

About 2-[[1-[[1-[(2-hydroxyethylamino)methyl]cyclohexyl]disulfanyl]cyclohexyl]methylamino]ethanol

2-[[1-[[1-[(2-hydroxyethylamino)methyl]cyclohexyl]disulfanyl]cyclohexyl]methylamino]ethanol (PubChem CID 10690967) has the molecular formula C18H36N2O2S2 and a molecular weight of 376.63 g/mol. Its IUPAC name is 2-[[1-[[1-[(2-hydroxyethylamino)methyl]cyclohexyl]disulfanyl]cyclohexyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[1-[[1-[(2-hydroxyethylamino)methyl]cyclohexyl]disulfanyl]cyclohexyl]methylamino]ethanol
PubChem CID10690967
Molecular FormulaC18H36N2O2S2
Molecular Weight376.63 g/mol
Exact Mass376.22
IUPAC Name2-[[1-[[1-[(2-hydroxyethylamino)methyl]cyclohexyl]disulfanyl]cyclohexyl]methylamino]ethanol
SMILESOCCNCC1(SSC2(CNCCO)CCCCC2)CCCCC1
InChIInChI=1S/C18H36N2O2S2/c21-13-11-19-15-17(7-3-1-4-8-17)23-24-18(16-20-12-14-22)9-5-2-6-10-18/h19-22H,1-16H2
InChIKeyQXTMQUCUIGJZPX-UHFFFAOYSA-N
XLogP2.94
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.63
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[1-[(2-hydroxyethylamino)methyl]cyclohexyl]disulfanyl]cyclohexyl]methylamino]ethanol?
The IUPAC name of 2-[[1-[[1-[(2-hydroxyethylamino)methyl]cyclohexyl]disulfanyl]cyclohexyl]methylamino]ethanol (CID 10690967) is 2-[[1-[[1-[(2-hydroxyethylamino)methyl]cyclohexyl]disulfanyl]cyclohexyl]methylamino]ethanol.
What is the SMILES notation for 2-[[1-[[1-[(2-hydroxyethylamino)methyl]cyclohexyl]disulfanyl]cyclohexyl]methylamino]ethanol?
The canonical SMILES for 2-[[1-[[1-[(2-hydroxyethylamino)methyl]cyclohexyl]disulfanyl]cyclohexyl]methylamino]ethanol is OCCNCC1(SSC2(CNCCO)CCCCC2)CCCCC1.
What is the InChIKey of 2-[[1-[[1-[(2-hydroxyethylamino)methyl]cyclohexyl]disulfanyl]cyclohexyl]methylamino]ethanol?
The InChIKey is QXTMQUCUIGJZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2S2/c21-13-11-19-15-17(7-3-1-4-8-17)23-24-18(16-20-12-14-22)9-5-2-6-10-18/h19-22H,1-16H2.
What are the key properties of 2-[[1-[[1-[(2-hydroxyethylamino)methyl]cyclohexyl]disulfanyl]cyclohexyl]methylamino]ethanol?
2-[[1-[[1-[(2-hydroxyethylamino)methyl]cyclohexyl]disulfanyl]cyclohexyl]methylamino]ethanol has a molecular weight of 376.63 g/mol, XLogP of 2.94, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[1-[(2-hydroxyethylamino)methyl]cyclohexyl]disulfanyl]cyclohexyl]methylamino]ethanol is sourced from PubChem (CID 10690967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).