1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]pyrrolidine

C20H37NO2 — CID 14990393

IUPAC1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]pyrrolidine
SMILESCCCC(C)(C)C1CCC2(CC1)OCC(CCN1CCCC1)O2
InChIInChI=1S/C20H37NO2/c1-4-10-19(2,3)17-7-11-20(12-8-17)22-16-18(23-20)9-15-21-13-5-6-14-21/h17-18H,4-16H2,1-3H3
InChIKeyXXRIGYVTXWXUNR-UHFFFAOYSA-N
MW323.52 g/mol
LogP4.60
Rot. Bonds6

About 1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]pyrrolidine

1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]pyrrolidine (PubChem CID 14990393) has the molecular formula C20H37NO2 and a molecular weight of 323.52 g/mol. Its IUPAC name is 1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]pyrrolidine
PubChem CID14990393
Molecular FormulaC20H37NO2
Molecular Weight323.52 g/mol
Exact Mass323.28
IUPAC Name1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]pyrrolidine
SMILESCCCC(C)(C)C1CCC2(CC1)OCC(CCN1CCCC1)O2
InChIInChI=1S/C20H37NO2/c1-4-10-19(2,3)17-7-11-20(12-8-17)22-16-18(23-20)9-15-21-13-5-6-14-21/h17-18H,4-16H2,1-3H3
InChIKeyXXRIGYVTXWXUNR-UHFFFAOYSA-N
XLogP4.60
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.52
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]pyrrolidine (CID 14990393) is 1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]pyrrolidine is CCCC(C)(C)C1CCC2(CC1)OCC(CCN1CCCC1)O2.
What is the InChIKey of 1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]pyrrolidine?
The InChIKey is XXRIGYVTXWXUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO2/c1-4-10-19(2,3)17-7-11-20(12-8-17)22-16-18(23-20)9-15-21-13-5-6-14-21/h17-18H,4-16H2,1-3H3.
What are the key properties of 1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]pyrrolidine?
1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]pyrrolidine has a molecular weight of 323.52 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]pyrrolidine is sourced from PubChem (CID 14990393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).