10,14-dimethyl-1,4,13-trioxa-10-azadispiro[4.1.57.25]tetradecane

C12H21NO3 — CID 10242847

IUPAC10,14-dimethyl-1,4,13-trioxa-10-azadispiro[4.1.57.25]tetradecane
SMILESCC1OC2(CCN(C)CC2)CC12OCCO2
InChIInChI=1S/C12H21NO3/c1-10-12(14-7-8-15-12)9-11(16-10)3-5-13(2)6-4-11/h10H,3-9H2,1-2H3
InChIKeyFTMKQEZALZUBBL-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.00
Rot. Bonds

About 10,14-dimethyl-1,4,13-trioxa-10-azadispiro[4.1.57.25]tetradecane

10,14-dimethyl-1,4,13-trioxa-10-azadispiro[4.1.57.25]tetradecane (PubChem CID 10242847) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 10,14-dimethyl-1,4,13-trioxa-10-azadispiro[4.1.57.25]tetradecane.

Molecular Properties

Compound Name10,14-dimethyl-1,4,13-trioxa-10-azadispiro[4.1.57.25]tetradecane
PubChem CID10242847
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name10,14-dimethyl-1,4,13-trioxa-10-azadispiro[4.1.57.25]tetradecane
SMILESCC1OC2(CCN(C)CC2)CC12OCCO2
InChIInChI=1S/C12H21NO3/c1-10-12(14-7-8-15-12)9-11(16-10)3-5-13(2)6-4-11/h10H,3-9H2,1-2H3
InChIKeyFTMKQEZALZUBBL-UHFFFAOYSA-N
XLogP1.00
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10,14-dimethyl-1,4,13-trioxa-10-azadispiro[4.1.57.25]tetradecane?
The IUPAC name of 10,14-dimethyl-1,4,13-trioxa-10-azadispiro[4.1.57.25]tetradecane (CID 10242847) is 10,14-dimethyl-1,4,13-trioxa-10-azadispiro[4.1.57.25]tetradecane.
What is the SMILES notation for 10,14-dimethyl-1,4,13-trioxa-10-azadispiro[4.1.57.25]tetradecane?
The canonical SMILES for 10,14-dimethyl-1,4,13-trioxa-10-azadispiro[4.1.57.25]tetradecane is CC1OC2(CCN(C)CC2)CC12OCCO2.
What is the InChIKey of 10,14-dimethyl-1,4,13-trioxa-10-azadispiro[4.1.57.25]tetradecane?
The InChIKey is FTMKQEZALZUBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-10-12(14-7-8-15-12)9-11(16-10)3-5-13(2)6-4-11/h10H,3-9H2,1-2H3.
What are the key properties of 10,14-dimethyl-1,4,13-trioxa-10-azadispiro[4.1.57.25]tetradecane?
10,14-dimethyl-1,4,13-trioxa-10-azadispiro[4.1.57.25]tetradecane has a molecular weight of 227.30 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,14-dimethyl-1,4,13-trioxa-10-azadispiro[4.1.57.25]tetradecane is sourced from PubChem (CID 10242847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).