8-oxaspiro[4.5]decan-3-amine

C9H17NO — CID 117274030

IUPAC8-oxaspiro[4.5]decan-3-amine
SMILESNC1CCC2(CCOCC2)C1
InChIInChI=1S/C9H17NO/c10-8-1-2-9(7-8)3-5-11-6-4-9/h8H,1-7,10H2
InChIKeyDXNWMSATKBQQPA-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.29
Rot. Bonds

About 8-oxaspiro[4.5]decan-3-amine

8-oxaspiro[4.5]decan-3-amine (PubChem CID 117274030) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 8-oxaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name8-oxaspiro[4.5]decan-3-amine
PubChem CID117274030
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name8-oxaspiro[4.5]decan-3-amine
SMILESNC1CCC2(CCOCC2)C1
InChIInChI=1S/C9H17NO/c10-8-1-2-9(7-8)3-5-11-6-4-9/h8H,1-7,10H2
InChIKeyDXNWMSATKBQQPA-UHFFFAOYSA-N
XLogP1.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-oxaspiro[4.5]decan-3-amine?
The IUPAC name of 8-oxaspiro[4.5]decan-3-amine (CID 117274030) is 8-oxaspiro[4.5]decan-3-amine.
What is the SMILES notation for 8-oxaspiro[4.5]decan-3-amine?
The canonical SMILES for 8-oxaspiro[4.5]decan-3-amine is NC1CCC2(CCOCC2)C1.
What is the InChIKey of 8-oxaspiro[4.5]decan-3-amine?
The InChIKey is DXNWMSATKBQQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c10-8-1-2-9(7-8)3-5-11-6-4-9/h8H,1-7,10H2.
What are the key properties of 8-oxaspiro[4.5]decan-3-amine?
8-oxaspiro[4.5]decan-3-amine has a molecular weight of 155.24 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxaspiro[4.5]decan-3-amine is sourced from PubChem (CID 117274030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).