2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-methylethanamine

C11H21NO2 — CID 86002438

IUPAC2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-methylethanamine
SMILESCNCCC1CCCCC12OCCO2
InChIInChI=1S/C11H21NO2/c1-12-7-5-10-4-2-3-6-11(10)13-8-9-14-11/h10,12H,2-9H2,1H3
InChIKeyZWEWDKFDFDJFFU-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.53
Rot. Bonds3

About 2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-methylethanamine

2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-methylethanamine (PubChem CID 86002438) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-methylethanamine
PubChem CID86002438
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-methylethanamine
SMILESCNCCC1CCCCC12OCCO2
InChIInChI=1S/C11H21NO2/c1-12-7-5-10-4-2-3-6-11(10)13-8-9-14-11/h10,12H,2-9H2,1H3
InChIKeyZWEWDKFDFDJFFU-UHFFFAOYSA-N
XLogP1.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-methylethanamine?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-methylethanamine (CID 86002438) is 2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-methylethanamine.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-methylethanamine?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-methylethanamine is CNCCC1CCCCC12OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-methylethanamine?
The InChIKey is ZWEWDKFDFDJFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-12-7-5-10-4-2-3-6-11(10)13-8-9-14-11/h10,12H,2-9H2,1H3.
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-methylethanamine?
2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-methylethanamine has a molecular weight of 199.29 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-methylethanamine is sourced from PubChem (CID 86002438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).