2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine

C13H25NO2 — CID 102896547

IUPAC2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
SMILESCOCCNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C13H25NO2/c1-15-10-9-14-11-12-5-8-13(16-12)6-3-2-4-7-13/h12,14H,2-11H2,1H3
InChIKeyFMXGEYXEYKCZHU-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.10
Rot. Bonds5

About 2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine

2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine (PubChem CID 102896547) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
PubChem CID102896547
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
SMILESCOCCNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C13H25NO2/c1-15-10-9-14-11-12-5-8-13(16-12)6-3-2-4-7-13/h12,14H,2-11H2,1H3
InChIKeyFMXGEYXEYKCZHU-UHFFFAOYSA-N
XLogP2.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-(1-oxaspiro[4.5]decan-2-ylmethylamino)acetamide
CID 102897739
1-methoxy-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butan-2-ol
CID 106246735
2-(2-methylpropoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897891
2-(3-methylbutoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897138
2-cyclopentyloxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897294
2-(2-methylpropoxy)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897890
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102896610
2-cyclopropyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897426
(Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.5]decan-2-yl)pent-3-en-1-amine
CID 102902719
2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102900965
N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
CID 102897171
2-[3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propoxy]ethanol
CID 106309924

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
The IUPAC name of 2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine (CID 102896547) is 2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine is COCCNCC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
The InChIKey is FMXGEYXEYKCZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-15-10-9-14-11-12-5-8-13(16-12)6-3-2-4-7-13/h12,14H,2-11H2,1H3.
What are the key properties of 2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine has a molecular weight of 227.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine is sourced from PubChem (CID 102896547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).