5-oxaspiro[2.5]octan-6-ylmethanamine;hydrochloride

C8H16ClNO — CID 154843171

IUPAC5-oxaspiro[2.5]octan-6-ylmethanamine;hydrochloride
SMILESCl.NCC1CCC2(CC2)CO1
InChIInChI=1S/C8H15NO.ClH/c9-5-7-1-2-8(3-4-8)6-10-7;/h7H,1-6,9H2;1H
InChIKeyVOKIWVWJAFNXPC-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.33
Rot. Bonds1

About 5-oxaspiro[2.5]octan-6-ylmethanamine;hydrochloride

5-oxaspiro[2.5]octan-6-ylmethanamine;hydrochloride (PubChem CID 154843171) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 5-oxaspiro[2.5]octan-6-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name5-oxaspiro[2.5]octan-6-ylmethanamine;hydrochloride
PubChem CID154843171
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name5-oxaspiro[2.5]octan-6-ylmethanamine;hydrochloride
SMILESCl.NCC1CCC2(CC2)CO1
InChIInChI=1S/C8H15NO.ClH/c9-5-7-1-2-8(3-4-8)6-10-7;/h7H,1-6,9H2;1H
InChIKeyVOKIWVWJAFNXPC-UHFFFAOYSA-N
XLogP1.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxaspiro[2.5]octan-6-ylmethanamine;hydrochloride?
The IUPAC name of 5-oxaspiro[2.5]octan-6-ylmethanamine;hydrochloride (CID 154843171) is 5-oxaspiro[2.5]octan-6-ylmethanamine;hydrochloride.
What is the SMILES notation for 5-oxaspiro[2.5]octan-6-ylmethanamine;hydrochloride?
The canonical SMILES for 5-oxaspiro[2.5]octan-6-ylmethanamine;hydrochloride is Cl.NCC1CCC2(CC2)CO1.
What is the InChIKey of 5-oxaspiro[2.5]octan-6-ylmethanamine;hydrochloride?
The InChIKey is VOKIWVWJAFNXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c9-5-7-1-2-8(3-4-8)6-10-7;/h7H,1-6,9H2;1H.
What are the key properties of 5-oxaspiro[2.5]octan-6-ylmethanamine;hydrochloride?
5-oxaspiro[2.5]octan-6-ylmethanamine;hydrochloride has a molecular weight of 177.67 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxaspiro[2.5]octan-6-ylmethanamine;hydrochloride is sourced from PubChem (CID 154843171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).