2-(2,9-dioxaspiro[5.5]undecan-5-yl)ethanamine

C11H21NO2 — CID 83908267

IUPAC2-(2,9-dioxaspiro[5.5]undecan-5-yl)ethanamine
SMILESNCCC1CCOCC12CCOCC2
InChIInChI=1S/C11H21NO2/c12-5-1-10-2-6-14-9-11(10)3-7-13-8-4-11/h10H,1-9,12H2
InChIKeyJRAWAUCKNUWTML-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.17
Rot. Bonds2

About 2-(2,9-dioxaspiro[5.5]undecan-5-yl)ethanamine

2-(2,9-dioxaspiro[5.5]undecan-5-yl)ethanamine (PubChem CID 83908267) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(2,9-dioxaspiro[5.5]undecan-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2,9-dioxaspiro[5.5]undecan-5-yl)ethanamine
PubChem CID83908267
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(2,9-dioxaspiro[5.5]undecan-5-yl)ethanamine
SMILESNCCC1CCOCC12CCOCC2
InChIInChI=1S/C11H21NO2/c12-5-1-10-2-6-14-9-11(10)3-7-13-8-4-11/h10H,1-9,12H2
InChIKeyJRAWAUCKNUWTML-UHFFFAOYSA-N
XLogP1.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,9-dioxaspiro[5.5]undecan-5-yl)ethanamine?
The IUPAC name of 2-(2,9-dioxaspiro[5.5]undecan-5-yl)ethanamine (CID 83908267) is 2-(2,9-dioxaspiro[5.5]undecan-5-yl)ethanamine.
What is the SMILES notation for 2-(2,9-dioxaspiro[5.5]undecan-5-yl)ethanamine?
The canonical SMILES for 2-(2,9-dioxaspiro[5.5]undecan-5-yl)ethanamine is NCCC1CCOCC12CCOCC2.
What is the InChIKey of 2-(2,9-dioxaspiro[5.5]undecan-5-yl)ethanamine?
The InChIKey is JRAWAUCKNUWTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c12-5-1-10-2-6-14-9-11(10)3-7-13-8-4-11/h10H,1-9,12H2.
What are the key properties of 2-(2,9-dioxaspiro[5.5]undecan-5-yl)ethanamine?
2-(2,9-dioxaspiro[5.5]undecan-5-yl)ethanamine has a molecular weight of 199.29 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,9-dioxaspiro[5.5]undecan-5-yl)ethanamine is sourced from PubChem (CID 83908267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).