1-(2-methoxy-6-methyl-5-oxaspiro[3.4]octan-6-yl)-N-methylmethanamine

C11H21NO2 — CID 130584049

IUPAC1-(2-methoxy-6-methyl-5-oxaspiro[3.4]octan-6-yl)-N-methylmethanamine
SMILESCNCC1(C)CCC2(CC(OC)C2)O1
InChIInChI=1S/C11H21NO2/c1-10(8-12-2)4-5-11(14-10)6-9(7-11)13-3/h9,12H,4-8H2,1-3H3
InChIKeyBIMLGYGOWJQDSP-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.32
Rot. Bonds3

About 1-(2-methoxy-6-methyl-5-oxaspiro[3.4]octan-6-yl)-N-methylmethanamine

1-(2-methoxy-6-methyl-5-oxaspiro[3.4]octan-6-yl)-N-methylmethanamine (PubChem CID 130584049) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(2-methoxy-6-methyl-5-oxaspiro[3.4]octan-6-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-methoxy-6-methyl-5-oxaspiro[3.4]octan-6-yl)-N-methylmethanamine
PubChem CID130584049
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(2-methoxy-6-methyl-5-oxaspiro[3.4]octan-6-yl)-N-methylmethanamine
SMILESCNCC1(C)CCC2(CC(OC)C2)O1
InChIInChI=1S/C11H21NO2/c1-10(8-12-2)4-5-11(14-10)6-9(7-11)13-3/h9,12H,4-8H2,1-3H3
InChIKeyBIMLGYGOWJQDSP-UHFFFAOYSA-N
XLogP1.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-6-methyl-5-oxaspiro[3.4]octan-6-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-methoxy-6-methyl-5-oxaspiro[3.4]octan-6-yl)-N-methylmethanamine (CID 130584049) is 1-(2-methoxy-6-methyl-5-oxaspiro[3.4]octan-6-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-methoxy-6-methyl-5-oxaspiro[3.4]octan-6-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-methoxy-6-methyl-5-oxaspiro[3.4]octan-6-yl)-N-methylmethanamine is CNCC1(C)CCC2(CC(OC)C2)O1.
What is the InChIKey of 1-(2-methoxy-6-methyl-5-oxaspiro[3.4]octan-6-yl)-N-methylmethanamine?
The InChIKey is BIMLGYGOWJQDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(8-12-2)4-5-11(14-10)6-9(7-11)13-3/h9,12H,4-8H2,1-3H3.
What are the key properties of 1-(2-methoxy-6-methyl-5-oxaspiro[3.4]octan-6-yl)-N-methylmethanamine?
1-(2-methoxy-6-methyl-5-oxaspiro[3.4]octan-6-yl)-N-methylmethanamine has a molecular weight of 199.29 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-6-methyl-5-oxaspiro[3.4]octan-6-yl)-N-methylmethanamine is sourced from PubChem (CID 130584049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).