1,4-dioxaspiro[4.5]decan-8-ylmethanamine

C9H17NO2 — CID 10953978

IUPAC1,4-dioxaspiro[4.5]decan-8-ylmethanamine
SMILESNCC1CCC2(CC1)OCCO2
InChIInChI=1S/C9H17NO2/c10-7-8-1-3-9(4-2-8)11-5-6-12-9/h8H,1-7,10H2
InChIKeyOEBYRQFXIBUGSR-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.88
Rot. Bonds1

About 1,4-dioxaspiro[4.5]decan-8-ylmethanamine

1,4-dioxaspiro[4.5]decan-8-ylmethanamine (PubChem CID 10953978) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.5]decan-8-ylmethanamine.

Molecular Properties

Compound Name1,4-dioxaspiro[4.5]decan-8-ylmethanamine
PubChem CID10953978
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1,4-dioxaspiro[4.5]decan-8-ylmethanamine
SMILESNCC1CCC2(CC1)OCCO2
InChIInChI=1S/C9H17NO2/c10-7-8-1-3-9(4-2-8)11-5-6-12-9/h8H,1-7,10H2
InChIKeyOEBYRQFXIBUGSR-UHFFFAOYSA-N
XLogP0.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxaspiro[4.5]decan-8-ylmethanamine?
The IUPAC name of 1,4-dioxaspiro[4.5]decan-8-ylmethanamine (CID 10953978) is 1,4-dioxaspiro[4.5]decan-8-ylmethanamine.
What is the SMILES notation for 1,4-dioxaspiro[4.5]decan-8-ylmethanamine?
The canonical SMILES for 1,4-dioxaspiro[4.5]decan-8-ylmethanamine is NCC1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxaspiro[4.5]decan-8-ylmethanamine?
The InChIKey is OEBYRQFXIBUGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c10-7-8-1-3-9(4-2-8)11-5-6-12-9/h8H,1-7,10H2.
What are the key properties of 1,4-dioxaspiro[4.5]decan-8-ylmethanamine?
1,4-dioxaspiro[4.5]decan-8-ylmethanamine has a molecular weight of 171.24 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxaspiro[4.5]decan-8-ylmethanamine is sourced from PubChem (CID 10953978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).