8-(2-methoxyethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine

C16H26N4O2 — CID 118742614

IUPAC8-(2-methoxyethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCOCCN1CCC2(CC1)CC(Nc1ccc(C)nn1)CO2
InChIInChI=1S/C16H26N4O2/c1-13-3-4-15(19-18-13)17-14-11-16(22-12-14)5-7-20(8-6-16)9-10-21-2/h3-4,14H,5-12H2,1-2H3,(H,17,19)
InChIKeyVDCWSFQSATWEPM-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.47
Rot. Bonds5

About 8-(2-methoxyethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine

8-(2-methoxyethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 118742614) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 8-(2-methoxyethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name8-(2-methoxyethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID118742614
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name8-(2-methoxyethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCOCCN1CCC2(CC1)CC(Nc1ccc(C)nn1)CO2
InChIInChI=1S/C16H26N4O2/c1-13-3-4-15(19-18-13)17-14-11-16(22-12-14)5-7-20(8-6-16)9-10-21-2/h3-4,14H,5-12H2,1-2H3,(H,17,19)
InChIKeyVDCWSFQSATWEPM-UHFFFAOYSA-N
XLogP1.47
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of 8-(2-methoxyethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 118742614) is 8-(2-methoxyethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for 8-(2-methoxyethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for 8-(2-methoxyethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine is COCCN1CCC2(CC1)CC(Nc1ccc(C)nn1)CO2.
What is the InChIKey of 8-(2-methoxyethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is VDCWSFQSATWEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-13-3-4-15(19-18-13)17-14-11-16(22-12-14)5-7-20(8-6-16)9-10-21-2/h3-4,14H,5-12H2,1-2H3,(H,17,19).
What are the key properties of 8-(2-methoxyethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
8-(2-methoxyethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 306.41 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 118742614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).