6-oxaspiro[4.5]decan-9-amine;hydrochloride

C9H18ClNO — CID 71779242

IUPAC6-oxaspiro[4.5]decan-9-amine;hydrochloride
SMILESCl.NC1CCOC2(CCCC2)C1
InChIInChI=1S/C9H17NO.ClH/c10-8-3-6-11-9(7-8)4-1-2-5-9;/h8H,1-7,10H2;1H
InChIKeyBUJYNMULMSPYHD-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.86
Rot. Bonds

About 6-oxaspiro[4.5]decan-9-amine;hydrochloride

6-oxaspiro[4.5]decan-9-amine;hydrochloride (PubChem CID 71779242) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 6-oxaspiro[4.5]decan-9-amine;hydrochloride.

Molecular Properties

Compound Name6-oxaspiro[4.5]decan-9-amine;hydrochloride
PubChem CID71779242
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name6-oxaspiro[4.5]decan-9-amine;hydrochloride
SMILESCl.NC1CCOC2(CCCC2)C1
InChIInChI=1S/C9H17NO.ClH/c10-8-3-6-11-9(7-8)4-1-2-5-9;/h8H,1-7,10H2;1H
InChIKeyBUJYNMULMSPYHD-UHFFFAOYSA-N
XLogP1.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxaspiro[4.5]decan-9-amine;hydrochloride?
The IUPAC name of 6-oxaspiro[4.5]decan-9-amine;hydrochloride (CID 71779242) is 6-oxaspiro[4.5]decan-9-amine;hydrochloride.
What is the SMILES notation for 6-oxaspiro[4.5]decan-9-amine;hydrochloride?
The canonical SMILES for 6-oxaspiro[4.5]decan-9-amine;hydrochloride is Cl.NC1CCOC2(CCCC2)C1.
What is the InChIKey of 6-oxaspiro[4.5]decan-9-amine;hydrochloride?
The InChIKey is BUJYNMULMSPYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c10-8-3-6-11-9(7-8)4-1-2-5-9;/h8H,1-7,10H2;1H.
What are the key properties of 6-oxaspiro[4.5]decan-9-amine;hydrochloride?
6-oxaspiro[4.5]decan-9-amine;hydrochloride has a molecular weight of 191.70 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxaspiro[4.5]decan-9-amine;hydrochloride is sourced from PubChem (CID 71779242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).