1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-amine

C13H25NO2 — CID 79914236

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H25NO2/c1-10(2)7-12(14)11-3-5-16-13(8-11)4-6-15-9-13/h10-12H,3-9,14H2,1-2H3
InChIKeyWNBJSJDNVIJEKU-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.95
Rot. Bonds3

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-amine

1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-amine (PubChem CID 79914236) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-amine
PubChem CID79914236
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H25NO2/c1-10(2)7-12(14)11-3-5-16-13(8-11)4-6-15-9-13/h10-12H,3-9,14H2,1-2H3
InChIKeyWNBJSJDNVIJEKU-UHFFFAOYSA-N
XLogP1.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-amine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-amine (CID 79914236) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-amine is CC(C)CC(N)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-amine?
The InChIKey is WNBJSJDNVIJEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(2)7-12(14)11-3-5-16-13(8-11)4-6-15-9-13/h10-12H,3-9,14H2,1-2H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-amine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 79914236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).