7-(2-cyclopropylethoxy)-1,4-dioxaspiro[4.5]decan-8-amine

C13H23NO3 — CID 106200696

IUPAC7-(2-cyclopropylethoxy)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESNC1CCC2(CC1OCCC1CC1)OCCO2
InChIInChI=1S/C13H23NO3/c14-11-3-5-13(16-7-8-17-13)9-12(11)15-6-4-10-1-2-10/h10-12H,1-9,14H2
InChIKeyOIGFRPFEQNCQTB-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.43
Rot. Bonds4

About 7-(2-cyclopropylethoxy)-1,4-dioxaspiro[4.5]decan-8-amine

7-(2-cyclopropylethoxy)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 106200696) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 7-(2-cyclopropylethoxy)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-(2-cyclopropylethoxy)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID106200696
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name7-(2-cyclopropylethoxy)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESNC1CCC2(CC1OCCC1CC1)OCCO2
InChIInChI=1S/C13H23NO3/c14-11-3-5-13(16-7-8-17-13)9-12(11)15-6-4-10-1-2-10/h10-12H,1-9,14H2
InChIKeyOIGFRPFEQNCQTB-UHFFFAOYSA-N
XLogP1.43
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclopropylethoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-(2-cyclopropylethoxy)-1,4-dioxaspiro[4.5]decan-8-amine (CID 106200696) is 7-(2-cyclopropylethoxy)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-(2-cyclopropylethoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-(2-cyclopropylethoxy)-1,4-dioxaspiro[4.5]decan-8-amine is NC1CCC2(CC1OCCC1CC1)OCCO2.
What is the InChIKey of 7-(2-cyclopropylethoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is OIGFRPFEQNCQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c14-11-3-5-13(16-7-8-17-13)9-12(11)15-6-4-10-1-2-10/h10-12H,1-9,14H2.
What are the key properties of 7-(2-cyclopropylethoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
7-(2-cyclopropylethoxy)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 241.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-cyclopropylethoxy)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 106200696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).