3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane;hydrochloride

C10H20ClNO — CID 74889737

IUPAC3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane;hydrochloride
SMILESCC1(C)CC2(CCNCC2)CO1.Cl
InChIInChI=1S/C10H19NO.ClH/c1-9(2)7-10(8-12-9)3-5-11-6-4-10;/h11H,3-8H2,1-2H3;1H
InChIKeyUPUSXTMLDUVFTP-UHFFFAOYSA-N
MW205.73 g/mol
LogP1.98
Rot. Bonds

About 3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane;hydrochloride

3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane;hydrochloride (PubChem CID 74889737) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane;hydrochloride
PubChem CID74889737
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane;hydrochloride
SMILESCC1(C)CC2(CCNCC2)CO1.Cl
InChIInChI=1S/C10H19NO.ClH/c1-9(2)7-10(8-12-9)3-5-11-6-4-10;/h11H,3-8H2,1-2H3;1H
InChIKeyUPUSXTMLDUVFTP-UHFFFAOYSA-N
XLogP1.98
TPSA21.26 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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane;hydrochloride?
The IUPAC name of 3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane;hydrochloride (CID 74889737) is 3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane;hydrochloride is CC1(C)CC2(CCNCC2)CO1.Cl.
What is the InChIKey of 3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane;hydrochloride?
The InChIKey is UPUSXTMLDUVFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.ClH/c1-9(2)7-10(8-12-9)3-5-11-6-4-10;/h11H,3-8H2,1-2H3;1H.
What are the key properties of 3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane;hydrochloride?
3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane;hydrochloride has a molecular weight of 205.73 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 74889737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).