[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylcyclobutyl)methanone

C16H28N2O2 — CID 131690471

IUPAC[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylcyclobutyl)methanone
SMILESCC1CC(C(=O)N2CCC3(CC2)CC(N(C)C)CO3)C1
InChIInChI=1S/C16H28N2O2/c1-12-8-13(9-12)15(19)18-6-4-16(5-7-18)10-14(11-20-16)17(2)3/h12-14H,4-11H2,1-3H3
InChIKeyLZBXSIULXOFHRR-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.74
Rot. Bonds2

About [3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylcyclobutyl)methanone

[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylcyclobutyl)methanone (PubChem CID 131690471) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is [3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylcyclobutyl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylcyclobutyl)methanone
PubChem CID131690471
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylcyclobutyl)methanone
SMILESCC1CC(C(=O)N2CCC3(CC2)CC(N(C)C)CO3)C1
InChIInChI=1S/C16H28N2O2/c1-12-8-13(9-12)15(19)18-6-4-16(5-7-18)10-14(11-20-16)17(2)3/h12-14H,4-11H2,1-3H3
InChIKeyLZBXSIULXOFHRR-UHFFFAOYSA-N
XLogP1.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylcyclobutyl)methanone?
The IUPAC name of [3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylcyclobutyl)methanone (CID 131690471) is [3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylcyclobutyl)methanone.
What is the SMILES notation for [3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylcyclobutyl)methanone?
The canonical SMILES for [3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylcyclobutyl)methanone is CC1CC(C(=O)N2CCC3(CC2)CC(N(C)C)CO3)C1.
What is the InChIKey of [3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylcyclobutyl)methanone?
The InChIKey is LZBXSIULXOFHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-12-8-13(9-12)15(19)18-6-4-16(5-7-18)10-14(11-20-16)17(2)3/h12-14H,4-11H2,1-3H3.
What are the key properties of [3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylcyclobutyl)methanone?
[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylcyclobutyl)methanone has a molecular weight of 280.41 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylcyclobutyl)methanone is sourced from PubChem (CID 131690471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).