2-[1-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]cyclopropyl]ethanol

C13H27NO4 — CID 114756460

IUPAC2-[1-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]cyclopropyl]ethanol
SMILESCOCCOCCOCCNCC1(CCO)CC1
InChIInChI=1S/C13H27NO4/c1-16-8-9-18-11-10-17-7-5-14-12-13(2-3-13)4-6-15/h14-15H,2-12H2,1H3
InChIKeyCVGIEZTWVVTGNC-UHFFFAOYSA-N
MW261.36 g/mol
LogP0.42
Rot. Bonds13

About 2-[1-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]cyclopropyl]ethanol

2-[1-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]cyclopropyl]ethanol (PubChem CID 114756460) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-[1-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]cyclopropyl]ethanol
PubChem CID114756460
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name2-[1-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]cyclopropyl]ethanol
SMILESCOCCOCCOCCNCC1(CCO)CC1
InChIInChI=1S/C13H27NO4/c1-16-8-9-18-11-10-17-7-5-14-12-13(2-3-13)4-6-15/h14-15H,2-12H2,1H3
InChIKeyCVGIEZTWVVTGNC-UHFFFAOYSA-N
XLogP0.42
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 50.42
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

2-[1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclopropyl]ethanol
CID 103179565
[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopentyl]methanol
CID 115359446
2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine
CID 104566649
2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine
CID 104566535
2-[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile
CID 65496681
[1-[(2-methoxyethylamino)methyl]cyclopropyl]methanol
CID 115454729
2-[1-(propylaminomethyl)cyclopropyl]ethanol
CID 114756075
2-[1-[(2,2-dimethoxyethylamino)methyl]cyclopropyl]ethanol
CID 114756082
N-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine
CID 66026488
2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
CID 62723578
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-1-amine
CID 66025997
2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine
CID 114116392

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]cyclopropyl]ethanol (CID 114756460) is 2-[1-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]cyclopropyl]ethanol is COCCOCCOCCNCC1(CCO)CC1.
What is the InChIKey of 2-[1-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]cyclopropyl]ethanol?
The InChIKey is CVGIEZTWVVTGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-16-8-9-18-11-10-17-7-5-14-12-13(2-3-13)4-6-15/h14-15H,2-12H2,1H3.
What are the key properties of 2-[1-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]cyclopropyl]ethanol?
2-[1-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]cyclopropyl]ethanol has a molecular weight of 261.36 g/mol, XLogP of 0.42, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114756460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).