[1-(2,2-dimethoxyethylamino)cyclohexyl]methanol

C11H23NO3 — CID 63697255

IUPAC[1-(2,2-dimethoxyethylamino)cyclohexyl]methanol
SMILESCOC(CNC1(CO)CCCCC1)OC
InChIInChI=1S/C11H23NO3/c1-14-10(15-2)8-12-11(9-13)6-4-3-5-7-11/h10,12-13H,3-9H2,1-2H3
InChIKeyBBXVJIBPOZTYOZ-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.89
Rot. Bonds6

About [1-(2,2-dimethoxyethylamino)cyclohexyl]methanol

[1-(2,2-dimethoxyethylamino)cyclohexyl]methanol (PubChem CID 63697255) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is [1-(2,2-dimethoxyethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2,2-dimethoxyethylamino)cyclohexyl]methanol
PubChem CID63697255
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name[1-(2,2-dimethoxyethylamino)cyclohexyl]methanol
SMILESCOC(CNC1(CO)CCCCC1)OC
InChIInChI=1S/C11H23NO3/c1-14-10(15-2)8-12-11(9-13)6-4-3-5-7-11/h10,12-13H,3-9H2,1-2H3
InChIKeyBBXVJIBPOZTYOZ-UHFFFAOYSA-N
XLogP0.89
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2-dimethoxyethylamino)cyclohexyl]methanol?
The IUPAC name of [1-(2,2-dimethoxyethylamino)cyclohexyl]methanol (CID 63697255) is [1-(2,2-dimethoxyethylamino)cyclohexyl]methanol.
What is the SMILES notation for [1-(2,2-dimethoxyethylamino)cyclohexyl]methanol?
The canonical SMILES for [1-(2,2-dimethoxyethylamino)cyclohexyl]methanol is COC(CNC1(CO)CCCCC1)OC.
What is the InChIKey of [1-(2,2-dimethoxyethylamino)cyclohexyl]methanol?
The InChIKey is BBXVJIBPOZTYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-14-10(15-2)8-12-11(9-13)6-4-3-5-7-11/h10,12-13H,3-9H2,1-2H3.
What are the key properties of [1-(2,2-dimethoxyethylamino)cyclohexyl]methanol?
[1-(2,2-dimethoxyethylamino)cyclohexyl]methanol has a molecular weight of 217.31 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-dimethoxyethylamino)cyclohexyl]methanol is sourced from PubChem (CID 63697255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).