2,6-dioxaspiro[4.5]decan-9-yl(oxolan-2-yl)methanamine

C13H23NO3 — CID 79910992

IUPAC2,6-dioxaspiro[4.5]decan-9-yl(oxolan-2-yl)methanamine
SMILESNC(C1CCOC2(CCOC2)C1)C1CCCO1
InChIInChI=1S/C13H23NO3/c14-12(11-2-1-5-16-11)10-3-6-17-13(8-10)4-7-15-9-13/h10-12H,1-9,14H2
InChIKeyHZOJJVSEVYTDNS-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.08
Rot. Bonds2

About 2,6-dioxaspiro[4.5]decan-9-yl(oxolan-2-yl)methanamine

2,6-dioxaspiro[4.5]decan-9-yl(oxolan-2-yl)methanamine (PubChem CID 79910992) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2,6-dioxaspiro[4.5]decan-9-yl(oxolan-2-yl)methanamine.

Molecular Properties

Compound Name2,6-dioxaspiro[4.5]decan-9-yl(oxolan-2-yl)methanamine
PubChem CID79910992
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2,6-dioxaspiro[4.5]decan-9-yl(oxolan-2-yl)methanamine
SMILESNC(C1CCOC2(CCOC2)C1)C1CCCO1
InChIInChI=1S/C13H23NO3/c14-12(11-2-1-5-16-11)10-3-6-17-13(8-10)4-7-15-9-13/h10-12H,1-9,14H2
InChIKeyHZOJJVSEVYTDNS-UHFFFAOYSA-N
XLogP1.08
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,6-dioxaspiro[4.5]decan-9-yl(oxolan-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 79914987
2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine
CID 79914092
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanamine
CID 79915218
cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 79914524
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 79911771
1,9-dioxaspiro[5.5]undecan-4-yl(oxan-2-yl)methanol
CID 115820899
oxan-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79911423
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine
CID 79914564
2,6-dioxaspiro[4.5]decan-9-yl-(1-ethylcyclopentyl)methanamine
CID 105017134
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913944
6-oxaspiro[4.5]decan-9-yl(oxolan-2-yl)methanol
CID 79922211
[2,6-dioxaspiro[4.5]decan-9-yl(oxan-4-yl)methyl]hydrazine
CID 105229794

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl(oxolan-2-yl)methanamine?
The IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl(oxolan-2-yl)methanamine (CID 79910992) is 2,6-dioxaspiro[4.5]decan-9-yl(oxolan-2-yl)methanamine.
What is the SMILES notation for 2,6-dioxaspiro[4.5]decan-9-yl(oxolan-2-yl)methanamine?
The canonical SMILES for 2,6-dioxaspiro[4.5]decan-9-yl(oxolan-2-yl)methanamine is NC(C1CCOC2(CCOC2)C1)C1CCCO1.
What is the InChIKey of 2,6-dioxaspiro[4.5]decan-9-yl(oxolan-2-yl)methanamine?
The InChIKey is HZOJJVSEVYTDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c14-12(11-2-1-5-16-11)10-3-6-17-13(8-10)4-7-15-9-13/h10-12H,1-9,14H2.
What are the key properties of 2,6-dioxaspiro[4.5]decan-9-yl(oxolan-2-yl)methanamine?
2,6-dioxaspiro[4.5]decan-9-yl(oxolan-2-yl)methanamine has a molecular weight of 241.33 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxaspiro[4.5]decan-9-yl(oxolan-2-yl)methanamine is sourced from PubChem (CID 79910992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).