3',4'-dimethoxyspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine;hydrochloride

C13H24ClNO2 — CID 164833327

IUPAC3',4'-dimethoxyspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine;hydrochloride
SMILESCOC1CC2(CC1OC)C1CCC(C1)C2N.Cl
InChIInChI=1S/C13H23NO2.ClH/c1-15-10-6-13(7-11(10)16-2)9-4-3-8(5-9)12(13)14;/h8-12H,3-7,14H2,1-2H3;1H
InChIKeyOXXTTWJBMXUBAK-UHFFFAOYSA-N
MW261.79 g/mol
LogP1.98
Rot. Bonds2

About 3',4'-dimethoxyspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine;hydrochloride

3',4'-dimethoxyspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine;hydrochloride (PubChem CID 164833327) has the molecular formula C13H24ClNO2 and a molecular weight of 261.79 g/mol. Its IUPAC name is 3',4'-dimethoxyspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine;hydrochloride.

Molecular Properties

Compound Name3',4'-dimethoxyspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine;hydrochloride
PubChem CID164833327
Molecular FormulaC13H24ClNO2
Molecular Weight261.79 g/mol
Exact Mass261.15
IUPAC Name3',4'-dimethoxyspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine;hydrochloride
SMILESCOC1CC2(CC1OC)C1CCC(C1)C2N.Cl
InChIInChI=1S/C13H23NO2.ClH/c1-15-10-6-13(7-11(10)16-2)9-4-3-8(5-9)12(13)14;/h8-12H,3-7,14H2,1-2H3;1H
InChIKeyOXXTTWJBMXUBAK-UHFFFAOYSA-N
XLogP1.98
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.79
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3',4'-dimethoxyspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine;hydrochloride?
The IUPAC name of 3',4'-dimethoxyspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine;hydrochloride (CID 164833327) is 3',4'-dimethoxyspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine;hydrochloride.
What is the SMILES notation for 3',4'-dimethoxyspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine;hydrochloride?
The canonical SMILES for 3',4'-dimethoxyspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine;hydrochloride is COC1CC2(CC1OC)C1CCC(C1)C2N.Cl.
What is the InChIKey of 3',4'-dimethoxyspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine;hydrochloride?
The InChIKey is OXXTTWJBMXUBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2.ClH/c1-15-10-6-13(7-11(10)16-2)9-4-3-8(5-9)12(13)14;/h8-12H,3-7,14H2,1-2H3;1H.
What are the key properties of 3',4'-dimethoxyspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine;hydrochloride?
3',4'-dimethoxyspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine;hydrochloride has a molecular weight of 261.79 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3',4'-dimethoxyspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine;hydrochloride is sourced from PubChem (CID 164833327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).