6-oxaspiro[3.4]octan-7-ylmethanamine;hydrochloride

C8H16ClNO — CID 126835221

IUPAC6-oxaspiro[3.4]octan-7-ylmethanamine;hydrochloride
SMILESCl.NCC1CC2(CCC2)CO1
InChIInChI=1S/C8H15NO.ClH/c9-5-7-4-8(6-10-7)2-1-3-8;/h7H,1-6,9H2;1H
InChIKeyLMPGEWRKZFPYCB-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.33
Rot. Bonds1

About 6-oxaspiro[3.4]octan-7-ylmethanamine;hydrochloride

6-oxaspiro[3.4]octan-7-ylmethanamine;hydrochloride (PubChem CID 126835221) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 6-oxaspiro[3.4]octan-7-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name6-oxaspiro[3.4]octan-7-ylmethanamine;hydrochloride
PubChem CID126835221
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name6-oxaspiro[3.4]octan-7-ylmethanamine;hydrochloride
SMILESCl.NCC1CC2(CCC2)CO1
InChIInChI=1S/C8H15NO.ClH/c9-5-7-4-8(6-10-7)2-1-3-8;/h7H,1-6,9H2;1H
InChIKeyLMPGEWRKZFPYCB-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 6-oxaspiro[3.4]octan-7-ylmethanamine;hydrochloride?
The IUPAC name of 6-oxaspiro[3.4]octan-7-ylmethanamine;hydrochloride (CID 126835221) is 6-oxaspiro[3.4]octan-7-ylmethanamine;hydrochloride.
What is the SMILES notation for 6-oxaspiro[3.4]octan-7-ylmethanamine;hydrochloride?
The canonical SMILES for 6-oxaspiro[3.4]octan-7-ylmethanamine;hydrochloride is Cl.NCC1CC2(CCC2)CO1.
What is the InChIKey of 6-oxaspiro[3.4]octan-7-ylmethanamine;hydrochloride?
The InChIKey is LMPGEWRKZFPYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c9-5-7-4-8(6-10-7)2-1-3-8;/h7H,1-6,9H2;1H.
What are the key properties of 6-oxaspiro[3.4]octan-7-ylmethanamine;hydrochloride?
6-oxaspiro[3.4]octan-7-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 6-oxaspiro[3.4]octan-7-ylmethanamine;hydrochloride is sourced from PubChem (CID 126835221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).