[3-(2-methoxyethoxy)-1-(methylamino)cyclohexyl]methanol

C11H23NO3 — CID 79640574

IUPAC[3-(2-methoxyethoxy)-1-(methylamino)cyclohexyl]methanol
SMILESCNC1(CO)CCCC(OCCOC)C1
InChIInChI=1S/C11H23NO3/c1-12-11(9-13)5-3-4-10(8-11)15-7-6-14-2/h10,12-13H,3-9H2,1-2H3
InChIKeyCHAAWSMTQNOVMW-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.54
Rot. Bonds6

About [3-(2-methoxyethoxy)-1-(methylamino)cyclohexyl]methanol

[3-(2-methoxyethoxy)-1-(methylamino)cyclohexyl]methanol (PubChem CID 79640574) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is [3-(2-methoxyethoxy)-1-(methylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(2-methoxyethoxy)-1-(methylamino)cyclohexyl]methanol
PubChem CID79640574
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name[3-(2-methoxyethoxy)-1-(methylamino)cyclohexyl]methanol
SMILESCNC1(CO)CCCC(OCCOC)C1
InChIInChI=1S/C11H23NO3/c1-12-11(9-13)5-3-4-10(8-11)15-7-6-14-2/h10,12-13H,3-9H2,1-2H3
InChIKeyCHAAWSMTQNOVMW-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
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

[3-[2-(2-methoxyethoxy)ethoxy]-1-(methylamino)cyclohexyl]methanol
CID 104567748
3-[2-(3-methoxypropoxy)ethoxy]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 103180113
3-(2-methoxyethoxy)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79648903
[1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methanol
CID 104567715
[3-(3-methoxypropylsulfanyl)-1-(methylamino)cyclohexyl]methanol
CID 79640677
[3-(2-ethylhexoxy)-1-(methylamino)cyclohexyl]methanol
CID 79640189
[3-pentoxy-1-(propylamino)cyclohexyl]methanol
CID 79641151
[3-(3,3-dimethylbutoxy)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640126
[3-octoxy-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79638608
[3-cyclopropyl-1-(methylamino)cyclohexyl]methanol
CID 64623011
3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625682
[3-(4-tert-butylphenoxy)-1-(methylamino)cyclohexyl]methanol
CID 79638646

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyethoxy)-1-(methylamino)cyclohexyl]methanol?
The IUPAC name of [3-(2-methoxyethoxy)-1-(methylamino)cyclohexyl]methanol (CID 79640574) is [3-(2-methoxyethoxy)-1-(methylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-(2-methoxyethoxy)-1-(methylamino)cyclohexyl]methanol?
The canonical SMILES for [3-(2-methoxyethoxy)-1-(methylamino)cyclohexyl]methanol is CNC1(CO)CCCC(OCCOC)C1.
What is the InChIKey of [3-(2-methoxyethoxy)-1-(methylamino)cyclohexyl]methanol?
The InChIKey is CHAAWSMTQNOVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-12-11(9-13)5-3-4-10(8-11)15-7-6-14-2/h10,12-13H,3-9H2,1-2H3.
What are the key properties of [3-(2-methoxyethoxy)-1-(methylamino)cyclohexyl]methanol?
[3-(2-methoxyethoxy)-1-(methylamino)cyclohexyl]methanol has a molecular weight of 217.31 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyethoxy)-1-(methylamino)cyclohexyl]methanol is sourced from PubChem (CID 79640574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).