2-(3-ethoxycyclobutyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine

C18H33NO2 — CID 103169207

IUPAC2-(3-ethoxycyclobutyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
SMILESCCOC1CC(CC(NC)C2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C18H33NO2/c1-3-20-16-10-14(11-16)12-17(19-2)15-6-9-21-18(13-15)7-4-5-8-18/h14-17,19H,3-13H2,1-2H3
InChIKeyXZSDBGLIXWHVRS-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.52
Rot. Bonds6

About 2-(3-ethoxycyclobutyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine

2-(3-ethoxycyclobutyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine (PubChem CID 103169207) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
PubChem CID103169207
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name2-(3-ethoxycyclobutyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
SMILESCCOC1CC(CC(NC)C2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C18H33NO2/c1-3-20-16-10-14(11-16)12-17(19-2)15-6-9-21-18(13-15)7-4-5-8-18/h14-17,19H,3-13H2,1-2H3
InChIKeyXZSDBGLIXWHVRS-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 103169206
2-(3-ethoxycyclobutyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 103168628
2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105016179
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103169143
N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(thian-4-yl)ethanamine
CID 105166263
2-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 105170225
2-methoxy-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79915502
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-amine
CID 105169809
[2-cycloheptyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
CID 105322163
N-ethyl-2-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79914184
4-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 105170251
N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
CID 105170234

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The IUPAC name of 2-(3-ethoxycyclobutyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine (CID 103169207) is 2-(3-ethoxycyclobutyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine is CCOC1CC(CC(NC)C2CCOC3(CCCC3)C2)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The InChIKey is XZSDBGLIXWHVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-3-20-16-10-14(11-16)12-17(19-2)15-6-9-21-18(13-15)7-4-5-8-18/h14-17,19H,3-13H2,1-2H3.
What are the key properties of 2-(3-ethoxycyclobutyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
2-(3-ethoxycyclobutyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine has a molecular weight of 295.47 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine is sourced from PubChem (CID 103169207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).