1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxyethanamine

C13H25NO3 — CID 79911954

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxyethanamine
SMILESCCOCC(N)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C13H25NO3/c1-2-15-10-12(14)11-3-6-17-13(9-11)4-7-16-8-5-13/h11-12H,2-10,14H2,1H3
InChIKeyJGCAQVCPKLITFZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.33
Rot. Bonds4

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxyethanamine

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxyethanamine (PubChem CID 79911954) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxyethanamine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxyethanamine
PubChem CID79911954
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxyethanamine
SMILESCCOCC(N)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C13H25NO3/c1-2-15-10-12(14)11-3-6-17-13(9-11)4-7-16-8-5-13/h11-12H,2-10,14H2,1H3
InChIKeyJGCAQVCPKLITFZ-UHFFFAOYSA-N
XLogP1.33
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-ethoxybutan-1-amine
CID 105167577
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 79911282
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine
CID 79915399
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103169143
1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine
CID 105012097
2-cyclobutyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanamine
CID 103169144
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-propan-2-ylsulfanylethanamine
CID 79911677
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79915039
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(4-methylphenyl)ethanamine
CID 79908712
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-dimethoxyethanamine
CID 79911630
1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine
CID 79914564

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxyethanamine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxyethanamine (CID 79911954) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxyethanamine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxyethanamine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxyethanamine is CCOCC(N)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxyethanamine?
The InChIKey is JGCAQVCPKLITFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-2-15-10-12(14)11-3-6-17-13(9-11)4-7-16-8-5-13/h11-12H,2-10,14H2,1H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxyethanamine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxyethanamine has a molecular weight of 243.35 g/mol, XLogP of 1.33, 4 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)-2-ethoxyethanamine is sourced from PubChem (CID 79911954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).