1-(6-oxaspiro[2.5]octan-2-yl)propan-2-amine

C10H19NO — CID 84653555

IUPAC1-(6-oxaspiro[2.5]octan-2-yl)propan-2-amine
SMILESCC(N)CC1CC12CCOCC2
InChIInChI=1S/C10H19NO/c1-8(11)6-9-7-10(9)2-4-12-5-3-10/h8-9H,2-7,11H2,1H3
InChIKeyCTEHLWURSQTNGQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.54
Rot. Bonds2

About 1-(6-oxaspiro[2.5]octan-2-yl)propan-2-amine

1-(6-oxaspiro[2.5]octan-2-yl)propan-2-amine (PubChem CID 84653555) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(6-oxaspiro[2.5]octan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(6-oxaspiro[2.5]octan-2-yl)propan-2-amine
PubChem CID84653555
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(6-oxaspiro[2.5]octan-2-yl)propan-2-amine
SMILESCC(N)CC1CC12CCOCC2
InChIInChI=1S/C10H19NO/c1-8(11)6-9-7-10(9)2-4-12-5-3-10/h8-9H,2-7,11H2,1H3
InChIKeyCTEHLWURSQTNGQ-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxaspiro[2.5]octan-2-yl)propan-2-amine?
The IUPAC name of 1-(6-oxaspiro[2.5]octan-2-yl)propan-2-amine (CID 84653555) is 1-(6-oxaspiro[2.5]octan-2-yl)propan-2-amine.
What is the SMILES notation for 1-(6-oxaspiro[2.5]octan-2-yl)propan-2-amine?
The canonical SMILES for 1-(6-oxaspiro[2.5]octan-2-yl)propan-2-amine is CC(N)CC1CC12CCOCC2.
What is the InChIKey of 1-(6-oxaspiro[2.5]octan-2-yl)propan-2-amine?
The InChIKey is CTEHLWURSQTNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(11)6-9-7-10(9)2-4-12-5-3-10/h8-9H,2-7,11H2,1H3.
What are the key properties of 1-(6-oxaspiro[2.5]octan-2-yl)propan-2-amine?
1-(6-oxaspiro[2.5]octan-2-yl)propan-2-amine has a molecular weight of 169.27 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxaspiro[2.5]octan-2-yl)propan-2-amine is sourced from PubChem (CID 84653555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).