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

C13H25NO4 — CID 79911630

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-dimethoxyethanamine
SMILESCOC(OC)C(N)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C13H25NO4/c1-15-12(16-2)11(14)10-3-6-18-13(9-10)4-7-17-8-5-13/h10-12H,3-9,14H2,1-2H3
InChIKeyMEUPQCXKSJIRKC-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.91
Rot. Bonds4

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

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-dimethoxyethanamine (PubChem CID 79911630) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-dimethoxyethanamine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-dimethoxyethanamine
PubChem CID79911630
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-dimethoxyethanamine
SMILESCOC(OC)C(N)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C13H25NO4/c1-15-12(16-2)11(14)10-3-6-18-13(9-10)4-7-17-8-5-13/h10-12H,3-9,14H2,1-2H3
InChIKeyMEUPQCXKSJIRKC-UHFFFAOYSA-N
XLogP0.91
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,9-dioxaspiro[5.5]undecan-4-yl-(4-methoxyoxan-4-yl)methanamine
CID 116764435
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methoxy-2-methylpropan-1-amine
CID 79911538
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine
CID 79914564
dimethyl 2-(1,9-dioxaspiro[5.5]undecan-4-yl)propanedioate
CID 103972495
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine
CID 79915399
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethoxyethyl]hydrazine
CID 105246210
1,9-dioxaspiro[5.5]undecan-4-yl-(3-methylcyclohexyl)methanamine
CID 79914941
cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 79914524
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxyethanamine
CID 79911954
2,6-dioxaspiro[4.5]decan-9-yl-(4-methoxyoxan-4-yl)methanamine
CID 116764369
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 116718593
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxybutyl]hydrazine
CID 105266981

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-dimethoxyethanamine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-dimethoxyethanamine (CID 79911630) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-dimethoxyethanamine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-dimethoxyethanamine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-dimethoxyethanamine is COC(OC)C(N)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-dimethoxyethanamine?
The InChIKey is MEUPQCXKSJIRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-15-12(16-2)11(14)10-3-6-18-13(9-10)4-7-17-8-5-13/h10-12H,3-9,14H2,1-2H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-dimethoxyethanamine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-dimethoxyethanamine has a molecular weight of 259.35 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-dimethoxyethanamine is sourced from PubChem (CID 79911630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).