[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclohexyl]methanol

C13H27NO3 — CID 81418523

IUPAC[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclohexyl]methanol
SMILESCOCCOCCNCC1(CO)CCCCC1
InChIInChI=1S/C13H27NO3/c1-16-9-10-17-8-7-14-11-13(12-15)5-3-2-4-6-13/h14-15H,2-12H2,1H3
InChIKeyQXBURPVERJILFF-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.18
Rot. Bonds9

About [1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclohexyl]methanol

[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclohexyl]methanol (PubChem CID 81418523) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is [1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclohexyl]methanol
PubChem CID81418523
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclohexyl]methanol
SMILESCOCCOCCNCC1(CO)CCCCC1
InChIInChI=1S/C13H27NO3/c1-16-9-10-17-8-7-14-11-13(12-15)5-3-2-4-6-13/h14-15H,2-12H2,1H3
InChIKeyQXBURPVERJILFF-UHFFFAOYSA-N
XLogP1.18
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.18
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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Frequently Asked Questions

What is the IUPAC name of [1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclohexyl]methanol (CID 81418523) is [1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclohexyl]methanol is COCCOCCNCC1(CO)CCCCC1.
What is the InChIKey of [1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclohexyl]methanol?
The InChIKey is QXBURPVERJILFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-16-9-10-17-8-7-14-11-13(12-15)5-3-2-4-6-13/h14-15H,2-12H2,1H3.
What are the key properties of [1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclohexyl]methanol?
[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclohexyl]methanol has a molecular weight of 245.36 g/mol, XLogP of 1.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 81418523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).