2,4-dioxaspiro[5.5]undecan-3-ylmethanamine

C10H19NO2 — CID 82647202

IUPAC2,4-dioxaspiro[5.5]undecan-3-ylmethanamine
SMILESNCC1OCC2(CCCCC2)CO1
InChIInChI=1S/C10H19NO2/c11-6-9-12-7-10(8-13-9)4-2-1-3-5-10/h9H,1-8,11H2
InChIKeyZMYDBGBWGGYLRX-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.27
Rot. Bonds1

About 2,4-dioxaspiro[5.5]undecan-3-ylmethanamine

2,4-dioxaspiro[5.5]undecan-3-ylmethanamine (PubChem CID 82647202) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2,4-dioxaspiro[5.5]undecan-3-ylmethanamine.

Molecular Properties

Compound Name2,4-dioxaspiro[5.5]undecan-3-ylmethanamine
PubChem CID82647202
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2,4-dioxaspiro[5.5]undecan-3-ylmethanamine
SMILESNCC1OCC2(CCCCC2)CO1
InChIInChI=1S/C10H19NO2/c11-6-9-12-7-10(8-13-9)4-2-1-3-5-10/h9H,1-8,11H2
InChIKeyZMYDBGBWGGYLRX-UHFFFAOYSA-N
XLogP1.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-dioxaspiro[5.5]undecan-3-ylmethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxaspiro[5.5]undecan-3-ylmethanamine?
The IUPAC name of 2,4-dioxaspiro[5.5]undecan-3-ylmethanamine (CID 82647202) is 2,4-dioxaspiro[5.5]undecan-3-ylmethanamine.
What is the SMILES notation for 2,4-dioxaspiro[5.5]undecan-3-ylmethanamine?
The canonical SMILES for 2,4-dioxaspiro[5.5]undecan-3-ylmethanamine is NCC1OCC2(CCCCC2)CO1.
What is the InChIKey of 2,4-dioxaspiro[5.5]undecan-3-ylmethanamine?
The InChIKey is ZMYDBGBWGGYLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c11-6-9-12-7-10(8-13-9)4-2-1-3-5-10/h9H,1-8,11H2.
What are the key properties of 2,4-dioxaspiro[5.5]undecan-3-ylmethanamine?
2,4-dioxaspiro[5.5]undecan-3-ylmethanamine has a molecular weight of 185.27 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxaspiro[5.5]undecan-3-ylmethanamine is sourced from PubChem (CID 82647202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).