1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

C14H24F3NO3 — CID 103215832

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H24F3NO3/c1-18-12(9-20-10-14(15,16)17)11-2-5-21-13(8-11)3-6-19-7-4-13/h11-12,18H,2-10H2,1H3
InChIKeyQHJGMEWRVSBUTR-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.13
Rot. Bonds5

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103215832) has the molecular formula C14H24F3NO3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103215832
Molecular FormulaC14H24F3NO3
Molecular Weight311.34 g/mol
Exact Mass311.17
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H24F3NO3/c1-18-12(9-20-10-14(15,16)17)11-2-5-21-13(8-11)3-6-19-7-4-13/h11-12,18H,2-10H2,1H3
InChIKeyQHJGMEWRVSBUTR-UHFFFAOYSA-N
XLogP2.13
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-difluoroethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine
CID 103149235
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-methylsulfanylethanamine
CID 79915523
2-methoxy-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79915502
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346448
3-(2,2-difluoroethoxy)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpropan-1-amine
CID 103149172
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 79907265
2-cyclopropyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine
CID 105012128
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-N-methylbutan-1-amine
CID 113391381
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpentan-1-amine
CID 79911806
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoropropyl]hydrazine
CID 105206190
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylbut-3-en-1-amine
CID 116660522
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methoxy-N-methylbutan-1-amine
CID 79914979

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103215832) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is CNC(COCC(F)(F)F)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is QHJGMEWRVSBUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO3/c1-18-12(9-20-10-14(15,16)17)11-2-5-21-13(8-11)3-6-19-7-4-13/h11-12,18H,2-10H2,1H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 311.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103215832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).