1,9-dioxaspiro[5.5]undecan-4-ylmethanamine

C10H19NO2 — CID 79905069

IUPAC1,9-dioxaspiro[5.5]undecan-4-ylmethanamine
SMILESNCC1CCOC2(CCOCC2)C1
InChIInChI=1S/C10H19NO2/c11-8-9-1-4-13-10(7-9)2-5-12-6-3-10/h9H,1-8,11H2
InChIKeyXANWWWVLZHMFPG-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.92
Rot. Bonds1

About 1,9-dioxaspiro[5.5]undecan-4-ylmethanamine

1,9-dioxaspiro[5.5]undecan-4-ylmethanamine (PubChem CID 79905069) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1,9-dioxaspiro[5.5]undecan-4-ylmethanamine.

Molecular Properties

Compound Name1,9-dioxaspiro[5.5]undecan-4-ylmethanamine
PubChem CID79905069
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1,9-dioxaspiro[5.5]undecan-4-ylmethanamine
SMILESNCC1CCOC2(CCOCC2)C1
InChIInChI=1S/C10H19NO2/c11-8-9-1-4-13-10(7-9)2-5-12-6-3-10/h9H,1-8,11H2
InChIKeyXANWWWVLZHMFPG-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-ylmethanamine?
The IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-ylmethanamine (CID 79905069) is 1,9-dioxaspiro[5.5]undecan-4-ylmethanamine.
What is the SMILES notation for 1,9-dioxaspiro[5.5]undecan-4-ylmethanamine?
The canonical SMILES for 1,9-dioxaspiro[5.5]undecan-4-ylmethanamine is NCC1CCOC2(CCOCC2)C1.
What is the InChIKey of 1,9-dioxaspiro[5.5]undecan-4-ylmethanamine?
The InChIKey is XANWWWVLZHMFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c11-8-9-1-4-13-10(7-9)2-5-12-6-3-10/h9H,1-8,11H2.
What are the key properties of 1,9-dioxaspiro[5.5]undecan-4-ylmethanamine?
1,9-dioxaspiro[5.5]undecan-4-ylmethanamine has a molecular weight of 185.27 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dioxaspiro[5.5]undecan-4-ylmethanamine is sourced from PubChem (CID 79905069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).