3,9-dimethyl-6-oxa-9-azaspiro[4.5]decane;ethane;3-methyl-1-propan-2-ylpyrazole

C19H37N3O — CID 144866138

IUPAC3,9-dimethyl-6-oxa-9-azaspiro[4.5]decane;ethane;3-methyl-1-propan-2-ylpyrazole
SMILESCC.CC1CCC2(C1)CN(C)CCO2.Cc1ccn(C(C)C)n1
InChIInChI=1S/C10H19NO.C7H12N2.C2H6/c1-9-3-4-10(7-9)8-11(2)5-6-12-10;1-6(2)9-5-4-7(3)8-9;1-2/h9H,3-8H2,1-2H3;4-6H,1-3H3;1-2H3
InChIKeyFCDVGTVIULBGBG-UHFFFAOYSA-N
MW323.53 g/mol
LogP4.31
Rot. Bonds1

About 3,9-dimethyl-6-oxa-9-azaspiro[4.5]decane;ethane;3-methyl-1-propan-2-ylpyrazole

3,9-dimethyl-6-oxa-9-azaspiro[4.5]decane;ethane;3-methyl-1-propan-2-ylpyrazole (PubChem CID 144866138) has the molecular formula C19H37N3O and a molecular weight of 323.53 g/mol. Its IUPAC name is 3,9-dimethyl-6-oxa-9-azaspiro[4.5]decane;ethane;3-methyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3,9-dimethyl-6-oxa-9-azaspiro[4.5]decane;ethane;3-methyl-1-propan-2-ylpyrazole
PubChem CID144866138
Molecular FormulaC19H37N3O
Molecular Weight323.53 g/mol
Exact Mass323.29
IUPAC Name3,9-dimethyl-6-oxa-9-azaspiro[4.5]decane;ethane;3-methyl-1-propan-2-ylpyrazole
SMILESCC.CC1CCC2(C1)CN(C)CCO2.Cc1ccn(C(C)C)n1
InChIInChI=1S/C10H19NO.C7H12N2.C2H6/c1-9-3-4-10(7-9)8-11(2)5-6-12-10;1-6(2)9-5-4-7(3)8-9;1-2/h9H,3-8H2,1-2H3;4-6H,1-3H3;1-2H3
InChIKeyFCDVGTVIULBGBG-UHFFFAOYSA-N
XLogP4.31
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyl-6-oxa-9-azaspiro[4.5]decane;ethane;3-methyl-1-propan-2-ylpyrazole?
The IUPAC name of 3,9-dimethyl-6-oxa-9-azaspiro[4.5]decane;ethane;3-methyl-1-propan-2-ylpyrazole (CID 144866138) is 3,9-dimethyl-6-oxa-9-azaspiro[4.5]decane;ethane;3-methyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 3,9-dimethyl-6-oxa-9-azaspiro[4.5]decane;ethane;3-methyl-1-propan-2-ylpyrazole?
The canonical SMILES for 3,9-dimethyl-6-oxa-9-azaspiro[4.5]decane;ethane;3-methyl-1-propan-2-ylpyrazole is CC.CC1CCC2(C1)CN(C)CCO2.Cc1ccn(C(C)C)n1.
What is the InChIKey of 3,9-dimethyl-6-oxa-9-azaspiro[4.5]decane;ethane;3-methyl-1-propan-2-ylpyrazole?
The InChIKey is FCDVGTVIULBGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C7H12N2.C2H6/c1-9-3-4-10(7-9)8-11(2)5-6-12-10;1-6(2)9-5-4-7(3)8-9;1-2/h9H,3-8H2,1-2H3;4-6H,1-3H3;1-2H3.
What are the key properties of 3,9-dimethyl-6-oxa-9-azaspiro[4.5]decane;ethane;3-methyl-1-propan-2-ylpyrazole?
3,9-dimethyl-6-oxa-9-azaspiro[4.5]decane;ethane;3-methyl-1-propan-2-ylpyrazole has a molecular weight of 323.53 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-6-oxa-9-azaspiro[4.5]decane;ethane;3-methyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 144866138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).