7-[3-(dimethylamino)pyrrolidin-1-yl]-1,4-dioxaspiro[4.5]decan-8-ol

C14H26N2O3 — CID 63164876

IUPAC7-[3-(dimethylamino)pyrrolidin-1-yl]-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCN(C)C1CCN(C2CC3(CCC2O)OCCO3)C1
InChIInChI=1S/C14H26N2O3/c1-15(2)11-4-6-16(10-11)12-9-14(5-3-13(12)17)18-7-8-19-14/h11-13,17H,3-10H2,1-2H3
InChIKeyUBTBMTIZNPWPBB-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.28
Rot. Bonds2

About 7-[3-(dimethylamino)pyrrolidin-1-yl]-1,4-dioxaspiro[4.5]decan-8-ol

7-[3-(dimethylamino)pyrrolidin-1-yl]-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 63164876) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 7-[3-(dimethylamino)pyrrolidin-1-yl]-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name7-[3-(dimethylamino)pyrrolidin-1-yl]-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID63164876
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name7-[3-(dimethylamino)pyrrolidin-1-yl]-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCN(C)C1CCN(C2CC3(CCC2O)OCCO3)C1
InChIInChI=1S/C14H26N2O3/c1-15(2)11-4-6-16(10-11)12-9-14(5-3-13(12)17)18-7-8-19-14/h11-13,17H,3-10H2,1-2H3
InChIKeyUBTBMTIZNPWPBB-UHFFFAOYSA-N
XLogP0.28
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(dimethylamino)pyrrolidin-1-yl]-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 7-[3-(dimethylamino)pyrrolidin-1-yl]-1,4-dioxaspiro[4.5]decan-8-ol (CID 63164876) is 7-[3-(dimethylamino)pyrrolidin-1-yl]-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 7-[3-(dimethylamino)pyrrolidin-1-yl]-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 7-[3-(dimethylamino)pyrrolidin-1-yl]-1,4-dioxaspiro[4.5]decan-8-ol is CN(C)C1CCN(C2CC3(CCC2O)OCCO3)C1.
What is the InChIKey of 7-[3-(dimethylamino)pyrrolidin-1-yl]-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is UBTBMTIZNPWPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-15(2)11-4-6-16(10-11)12-9-14(5-3-13(12)17)18-7-8-19-14/h11-13,17H,3-10H2,1-2H3.
What are the key properties of 7-[3-(dimethylamino)pyrrolidin-1-yl]-1,4-dioxaspiro[4.5]decan-8-ol?
7-[3-(dimethylamino)pyrrolidin-1-yl]-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 270.37 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(dimethylamino)pyrrolidin-1-yl]-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 63164876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).