N-(2-methoxyethyl)-N-methyl-8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine

C18H29N3O2 — CID 118746815

IUPACN-(2-methoxyethyl)-N-methyl-8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCOCCN(C)C1COC2(CCN(Cc3ccccn3)CC2)C1
InChIInChI=1S/C18H29N3O2/c1-20(11-12-22-2)17-13-18(23-15-17)6-9-21(10-7-18)14-16-5-3-4-8-19-16/h3-5,8,17H,6-7,9-15H2,1-2H3
InChIKeyQPQNFKOVUPPXSR-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.78
Rot. Bonds6

About N-(2-methoxyethyl)-N-methyl-8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine

N-(2-methoxyethyl)-N-methyl-8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 118746815) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID118746815
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-(2-methoxyethyl)-N-methyl-8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCOCCN(C)C1COC2(CCN(Cc3ccccn3)CC2)C1
InChIInChI=1S/C18H29N3O2/c1-20(11-12-22-2)17-13-18(23-15-17)6-9-21(10-7-18)14-16-5-3-4-8-19-16/h3-5,8,17H,6-7,9-15H2,1-2H3
InChIKeyQPQNFKOVUPPXSR-UHFFFAOYSA-N
XLogP1.78
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 118746815) is N-(2-methoxyethyl)-N-methyl-8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine is COCCN(C)C1COC2(CCN(Cc3ccccn3)CC2)C1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is QPQNFKOVUPPXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-20(11-12-22-2)17-13-18(23-15-17)6-9-21(10-7-18)14-16-5-3-4-8-19-16/h3-5,8,17H,6-7,9-15H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-methyl-8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
N-(2-methoxyethyl)-N-methyl-8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 319.45 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 118746815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).