1-oxaspiro[4.5]decan-4-amine

C9H17NO — CID 105430398

IUPAC1-oxaspiro[4.5]decan-4-amine
SMILESNC1CCOC12CCCCC2
InChIInChI=1S/C9H17NO/c10-8-4-7-11-9(8)5-2-1-3-6-9/h8H,1-7,10H2
InChIKeyXGBIMJZTYGFCRR-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.44
Rot. Bonds

About 1-oxaspiro[4.5]decan-4-amine

1-oxaspiro[4.5]decan-4-amine (PubChem CID 105430398) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-oxaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name1-oxaspiro[4.5]decan-4-amine
PubChem CID105430398
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-oxaspiro[4.5]decan-4-amine
SMILESNC1CCOC12CCCCC2
InChIInChI=1S/C9H17NO/c10-8-4-7-11-9(8)5-2-1-3-6-9/h8H,1-7,10H2
InChIKeyXGBIMJZTYGFCRR-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-oxaspiro[4.5]decan-4-amine 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 1-oxaspiro[4.5]decan-4-amine?
The IUPAC name of 1-oxaspiro[4.5]decan-4-amine (CID 105430398) is 1-oxaspiro[4.5]decan-4-amine.
What is the SMILES notation for 1-oxaspiro[4.5]decan-4-amine?
The canonical SMILES for 1-oxaspiro[4.5]decan-4-amine is NC1CCOC12CCCCC2.
What is the InChIKey of 1-oxaspiro[4.5]decan-4-amine?
The InChIKey is XGBIMJZTYGFCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c10-8-4-7-11-9(8)5-2-1-3-6-9/h8H,1-7,10H2.
What are the key properties of 1-oxaspiro[4.5]decan-4-amine?
1-oxaspiro[4.5]decan-4-amine has a molecular weight of 155.24 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[4.5]decan-4-amine is sourced from PubChem (CID 105430398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).