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

C13H27NO4 — CID 104567748

IUPAC[3-[2-(2-methoxyethoxy)ethoxy]-1-(methylamino)cyclohexyl]methanol
SMILESCNC1(CO)CCCC(OCCOCCOC)C1
InChIInChI=1S/C13H27NO4/c1-14-13(11-15)5-3-4-12(10-13)18-9-8-17-7-6-16-2/h12,14-15H,3-11H2,1-2H3
InChIKeyHBRZMBOPUYMGEL-UHFFFAOYSA-N
MW261.36 g/mol
LogP0.56
Rot. Bonds9

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

[3-[2-(2-methoxyethoxy)ethoxy]-1-(methylamino)cyclohexyl]methanol (PubChem CID 104567748) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is [3-[2-(2-methoxyethoxy)ethoxy]-1-(methylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-[2-(2-methoxyethoxy)ethoxy]-1-(methylamino)cyclohexyl]methanol
PubChem CID104567748
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name[3-[2-(2-methoxyethoxy)ethoxy]-1-(methylamino)cyclohexyl]methanol
SMILESCNC1(CO)CCCC(OCCOCCOC)C1
InChIInChI=1S/C13H27NO4/c1-14-13(11-15)5-3-4-12(10-13)18-9-8-17-7-6-16-2/h12,14-15H,3-11H2,1-2H3
InChIKeyHBRZMBOPUYMGEL-UHFFFAOYSA-N
XLogP0.56
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-methoxyethoxy)-1-(methylamino)cyclohexyl]methanol
CID 79640574
3-[2-(3-methoxypropoxy)ethoxy]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 103180113
[1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methanol
CID 104567715
[1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentyl]methanol
CID 104567705
3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 104564889
1-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carboxamide
CID 104565261
1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carbonitrile
CID 104564891
3-(2-methoxyethoxy)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79648903
[3-pentoxy-1-(propylamino)cyclohexyl]methanol
CID 79641151
[3-(3-methoxypropylsulfanyl)-1-(methylamino)cyclohexyl]methanol
CID 79640677
[3-(2-ethylhexoxy)-1-(methylamino)cyclohexyl]methanol
CID 79640189
1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylic acid
CID 104565132

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-methoxyethoxy)ethoxy]-1-(methylamino)cyclohexyl]methanol?
The IUPAC name of [3-[2-(2-methoxyethoxy)ethoxy]-1-(methylamino)cyclohexyl]methanol (CID 104567748) is [3-[2-(2-methoxyethoxy)ethoxy]-1-(methylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-[2-(2-methoxyethoxy)ethoxy]-1-(methylamino)cyclohexyl]methanol?
The canonical SMILES for [3-[2-(2-methoxyethoxy)ethoxy]-1-(methylamino)cyclohexyl]methanol is CNC1(CO)CCCC(OCCOCCOC)C1.
What is the InChIKey of [3-[2-(2-methoxyethoxy)ethoxy]-1-(methylamino)cyclohexyl]methanol?
The InChIKey is HBRZMBOPUYMGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-14-13(11-15)5-3-4-12(10-13)18-9-8-17-7-6-16-2/h12,14-15H,3-11H2,1-2H3.
What are the key properties of [3-[2-(2-methoxyethoxy)ethoxy]-1-(methylamino)cyclohexyl]methanol?
[3-[2-(2-methoxyethoxy)ethoxy]-1-(methylamino)cyclohexyl]methanol has a molecular weight of 261.36 g/mol, XLogP of 0.56, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2-methoxyethoxy)ethoxy]-1-(methylamino)cyclohexyl]methanol is sourced from PubChem (CID 104567748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).