3-oxaspiro[5.5]undecan-9-amine;hydrochloride

C10H20ClNO — CID 71755612

IUPAC3-oxaspiro[5.5]undecan-9-amine;hydrochloride
SMILESCl.NC1CCC2(CCOCC2)CC1
InChIInChI=1S/C10H19NO.ClH/c11-9-1-3-10(4-2-9)5-7-12-8-6-10;/h9H,1-8,11H2;1H
InChIKeyQWRFNBAVRSNGGZ-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.11
Rot. Bonds

About 3-oxaspiro[5.5]undecan-9-amine;hydrochloride

3-oxaspiro[5.5]undecan-9-amine;hydrochloride (PubChem CID 71755612) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 3-oxaspiro[5.5]undecan-9-amine;hydrochloride.

Molecular Properties

Compound Name3-oxaspiro[5.5]undecan-9-amine;hydrochloride
PubChem CID71755612
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name3-oxaspiro[5.5]undecan-9-amine;hydrochloride
SMILESCl.NC1CCC2(CCOCC2)CC1
InChIInChI=1S/C10H19NO.ClH/c11-9-1-3-10(4-2-9)5-7-12-8-6-10;/h9H,1-8,11H2;1H
InChIKeyQWRFNBAVRSNGGZ-UHFFFAOYSA-N
XLogP2.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-oxaspiro[5.5]undecan-9-amine;hydrochloride?
The IUPAC name of 3-oxaspiro[5.5]undecan-9-amine;hydrochloride (CID 71755612) is 3-oxaspiro[5.5]undecan-9-amine;hydrochloride.
What is the SMILES notation for 3-oxaspiro[5.5]undecan-9-amine;hydrochloride?
The canonical SMILES for 3-oxaspiro[5.5]undecan-9-amine;hydrochloride is Cl.NC1CCC2(CCOCC2)CC1.
What is the InChIKey of 3-oxaspiro[5.5]undecan-9-amine;hydrochloride?
The InChIKey is QWRFNBAVRSNGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.ClH/c11-9-1-3-10(4-2-9)5-7-12-8-6-10;/h9H,1-8,11H2;1H.
What are the key properties of 3-oxaspiro[5.5]undecan-9-amine;hydrochloride?
3-oxaspiro[5.5]undecan-9-amine;hydrochloride has a molecular weight of 205.73 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxaspiro[5.5]undecan-9-amine;hydrochloride is sourced from PubChem (CID 71755612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).