3-oxaspiro[5.5]undecan-9-amine

C10H19NO — CID 71755613

IUPAC3-oxaspiro[5.5]undecan-9-amine
SMILESNC1CCC2(CCOCC2)CC1
InChIInChI=1S/C10H19NO/c11-9-1-3-10(4-2-9)5-7-12-8-6-10/h9H,1-8,11H2
InChIKeyYYGKOWZTKSYOLM-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.68
Rot. Bonds

About 3-oxaspiro[5.5]undecan-9-amine

3-oxaspiro[5.5]undecan-9-amine (PubChem CID 71755613) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-oxaspiro[5.5]undecan-9-amine.

Molecular Properties

Compound Name3-oxaspiro[5.5]undecan-9-amine
PubChem CID71755613
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-oxaspiro[5.5]undecan-9-amine
SMILESNC1CCC2(CCOCC2)CC1
InChIInChI=1S/C10H19NO/c11-9-1-3-10(4-2-9)5-7-12-8-6-10/h9H,1-8,11H2
InChIKeyYYGKOWZTKSYOLM-UHFFFAOYSA-N
XLogP1.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-oxaspiro[5.5]undecan-9-amine?
The IUPAC name of 3-oxaspiro[5.5]undecan-9-amine (CID 71755613) is 3-oxaspiro[5.5]undecan-9-amine.
What is the SMILES notation for 3-oxaspiro[5.5]undecan-9-amine?
The canonical SMILES for 3-oxaspiro[5.5]undecan-9-amine is NC1CCC2(CCOCC2)CC1.
What is the InChIKey of 3-oxaspiro[5.5]undecan-9-amine?
The InChIKey is YYGKOWZTKSYOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c11-9-1-3-10(4-2-9)5-7-12-8-6-10/h9H,1-8,11H2.
What are the key properties of 3-oxaspiro[5.5]undecan-9-amine?
3-oxaspiro[5.5]undecan-9-amine has a molecular weight of 169.27 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxaspiro[5.5]undecan-9-amine is sourced from PubChem (CID 71755613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).