2-methoxy-N-[[3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methyl]ethanamine

C17H31NO3 — CID 102900401

IUPAC2-methoxy-N-[[3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methyl]ethanamine
SMILESCOCCNCC1(CC2CCC3(CCCC3)O2)CCOC1
InChIInChI=1S/C17H31NO3/c1-19-11-9-18-13-16(8-10-20-14-16)12-15-4-7-17(21-15)5-2-3-6-17/h15,18H,2-14H2,1H3
InChIKeyHWQWLBIRVFGPPI-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.51
Rot. Bonds7

About 2-methoxy-N-[[3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methyl]ethanamine

2-methoxy-N-[[3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methyl]ethanamine (PubChem CID 102900401) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-methoxy-N-[[3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methyl]ethanamine
PubChem CID102900401
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name2-methoxy-N-[[3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methyl]ethanamine
SMILESCOCCNCC1(CC2CCC3(CCCC3)O2)CCOC1
InChIInChI=1S/C17H31NO3/c1-19-11-9-18-13-16(8-10-20-14-16)12-15-4-7-17(21-15)5-2-3-6-17/h15,18H,2-14H2,1H3
InChIKeyHWQWLBIRVFGPPI-UHFFFAOYSA-N
XLogP2.51
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-[[3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methyl]ethanamine with MolForge

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Related Compounds

2-methoxy-N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 62719768
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]cyclopentyl]methyl]-2-methoxyethanamine
CID 116523652
2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896547
2-methoxy-N-[[3-(methoxymethyl)oxolan-3-yl]methyl]ethanamine
CID 103984642
2-[[3-(bromomethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.5]decane
CID 102902198
2-[[3-(chloromethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.4]nonane
CID 102902111
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 102900416
N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 116523691
2-methoxy-N-[[1-(oxolan-2-ylmethyl)cyclohexyl]methyl]ethanamine
CID 55106983
2-methoxy-N-[[1-[(5-methyloxolan-2-yl)methyl]cyclohexyl]methyl]ethanamine
CID 103138492
2-methoxy-N-[[1-(oxan-4-ylmethyl)cyclobutyl]methyl]ethanamine
CID 65196724
(Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.5]decan-2-yl)pent-3-en-1-amine
CID 102902719

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methyl]ethanamine (CID 102900401) is 2-methoxy-N-[[3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methyl]ethanamine is COCCNCC1(CC2CCC3(CCCC3)O2)CCOC1.
What is the InChIKey of 2-methoxy-N-[[3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methyl]ethanamine?
The InChIKey is HWQWLBIRVFGPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-19-11-9-18-13-16(8-10-20-14-16)12-15-4-7-17(21-15)5-2-3-6-17/h15,18H,2-14H2,1H3.
What are the key properties of 2-methoxy-N-[[3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methyl]ethanamine?
2-methoxy-N-[[3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methyl]ethanamine has a molecular weight of 297.44 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 102900401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).