2-(6-oxaspiro[3.4]octan-7-yl)ethanamine;hydrochloride

C9H18ClNO — CID 138991537

IUPAC2-(6-oxaspiro[3.4]octan-7-yl)ethanamine;hydrochloride
SMILESCl.NCCC1CC2(CCC2)CO1
InChIInChI=1S/C9H17NO.ClH/c10-5-2-8-6-9(7-11-8)3-1-4-9;/h8H,1-7,10H2;1H
InChIKeyWSYSEEHJVONUSO-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.72
Rot. Bonds2

About 2-(6-oxaspiro[3.4]octan-7-yl)ethanamine;hydrochloride

2-(6-oxaspiro[3.4]octan-7-yl)ethanamine;hydrochloride (PubChem CID 138991537) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 2-(6-oxaspiro[3.4]octan-7-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(6-oxaspiro[3.4]octan-7-yl)ethanamine;hydrochloride
PubChem CID138991537
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name2-(6-oxaspiro[3.4]octan-7-yl)ethanamine;hydrochloride
SMILESCl.NCCC1CC2(CCC2)CO1
InChIInChI=1S/C9H17NO.ClH/c10-5-2-8-6-9(7-11-8)3-1-4-9;/h8H,1-7,10H2;1H
InChIKeyWSYSEEHJVONUSO-UHFFFAOYSA-N
XLogP1.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxaspiro[3.4]octan-7-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(6-oxaspiro[3.4]octan-7-yl)ethanamine;hydrochloride (CID 138991537) is 2-(6-oxaspiro[3.4]octan-7-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(6-oxaspiro[3.4]octan-7-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(6-oxaspiro[3.4]octan-7-yl)ethanamine;hydrochloride is Cl.NCCC1CC2(CCC2)CO1.
What is the InChIKey of 2-(6-oxaspiro[3.4]octan-7-yl)ethanamine;hydrochloride?
The InChIKey is WSYSEEHJVONUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c10-5-2-8-6-9(7-11-8)3-1-4-9;/h8H,1-7,10H2;1H.
What are the key properties of 2-(6-oxaspiro[3.4]octan-7-yl)ethanamine;hydrochloride?
2-(6-oxaspiro[3.4]octan-7-yl)ethanamine;hydrochloride has a molecular weight of 191.70 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxaspiro[3.4]octan-7-yl)ethanamine;hydrochloride is sourced from PubChem (CID 138991537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).