2-[2-[2-(aminomethyl)cyclohexyl]oxyethoxy]ethanol

C11H23NO3 — CID 106938416

IUPAC2-[2-[2-(aminomethyl)cyclohexyl]oxyethoxy]ethanol
SMILESNCC1CCCCC1OCCOCCO
InChIInChI=1S/C11H23NO3/c12-9-10-3-1-2-4-11(10)15-8-7-14-6-5-13/h10-11,13H,1-9,12H2
InChIKeyPXFGCPBZAAMISC-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.53
Rot. Bonds7

About 2-[2-[2-(aminomethyl)cyclohexyl]oxyethoxy]ethanol

2-[2-[2-(aminomethyl)cyclohexyl]oxyethoxy]ethanol (PubChem CID 106938416) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[2-[2-(aminomethyl)cyclohexyl]oxyethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(aminomethyl)cyclohexyl]oxyethoxy]ethanol
PubChem CID106938416
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-[2-[2-(aminomethyl)cyclohexyl]oxyethoxy]ethanol
SMILESNCC1CCCCC1OCCOCCO
InChIInChI=1S/C11H23NO3/c12-9-10-3-1-2-4-11(10)15-8-7-14-6-5-13/h10-11,13H,1-9,12H2
InChIKeyPXFGCPBZAAMISC-UHFFFAOYSA-N
XLogP0.53
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.53
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

2-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethoxy]ethanol
CID 106938444
[2-(2-ethoxyethoxy)cyclopentyl]methanamine
CID 43428799
2-[2-[2-[2-[2-(2-octylcyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 11189685
[2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine
CID 43428867
3-[2-(aminomethyl)cyclohexyl]oxy-2-methylpropan-1-ol
CID 106938411
cis-(1R,2S)-2-[2-[2-[(1R,2S)-2-hydroxycyclohexyl]oxyethoxy]ethoxy]cyclohexan-1-ol
CID 10891991
[2-(methoxymethoxy)cyclohexyl]methanamine
CID 106938418
2-(2-cyclopropyloxyethoxy)ethanol
CID 57000594
[2-(3,3-diethoxypropoxy)cyclohexyl]methanamine
CID 113320306
2-[(1S,2R)-2-(2-hydroxyethoxy)cyclopentyl]oxyethanol
CID 155269084
2-[(1S,2S)-2-(3-methylbutyl)cyclohexyl]oxyethanol
CID 58242222
[2-(ethoxymethoxy)cyclopentyl]methanamine
CID 106938405

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(aminomethyl)cyclohexyl]oxyethoxy]ethanol?
The IUPAC name of 2-[2-[2-(aminomethyl)cyclohexyl]oxyethoxy]ethanol (CID 106938416) is 2-[2-[2-(aminomethyl)cyclohexyl]oxyethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(aminomethyl)cyclohexyl]oxyethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(aminomethyl)cyclohexyl]oxyethoxy]ethanol is NCC1CCCCC1OCCOCCO.
What is the InChIKey of 2-[2-[2-(aminomethyl)cyclohexyl]oxyethoxy]ethanol?
The InChIKey is PXFGCPBZAAMISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c12-9-10-3-1-2-4-11(10)15-8-7-14-6-5-13/h10-11,13H,1-9,12H2.
What are the key properties of 2-[2-[2-(aminomethyl)cyclohexyl]oxyethoxy]ethanol?
2-[2-[2-(aminomethyl)cyclohexyl]oxyethoxy]ethanol has a molecular weight of 217.31 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(aminomethyl)cyclohexyl]oxyethoxy]ethanol is sourced from PubChem (CID 106938416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).