2-ethyl-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecane;hydrochloride

C13H26ClNO — CID 24840744

IUPAC2-ethyl-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecane;hydrochloride
SMILESCCN1CCCC2(CCOC(C)(C)C2)C1.Cl
InChIInChI=1S/C13H25NO.ClH/c1-4-14-8-5-6-13(11-14)7-9-15-12(2,3)10-13;/h4-11H2,1-3H3;1H
InChIKeyFNVWUPDLOYBEMX-UHFFFAOYSA-N
MW247.81 g/mol
LogP3.10
Rot. Bonds1

About 2-ethyl-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecane;hydrochloride

2-ethyl-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecane;hydrochloride (PubChem CID 24840744) has the molecular formula C13H26ClNO and a molecular weight of 247.81 g/mol. Its IUPAC name is 2-ethyl-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecane;hydrochloride.

Molecular Properties

Compound Name2-ethyl-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecane;hydrochloride
PubChem CID24840744
Molecular FormulaC13H26ClNO
Molecular Weight247.81 g/mol
Exact Mass247.17
IUPAC Name2-ethyl-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecane;hydrochloride
SMILESCCN1CCCC2(CCOC(C)(C)C2)C1.Cl
InChIInChI=1S/C13H25NO.ClH/c1-4-14-8-5-6-13(11-14)7-9-15-12(2,3)10-13;/h4-11H2,1-3H3;1H
InChIKeyFNVWUPDLOYBEMX-UHFFFAOYSA-N
XLogP3.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.81
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8,8-Dimethyl-9-oxa-2-azaspiro[5.5]undecane
CID 546176
4-(8,8-dimethyl-9-oxa-2-azaspiro[5.5]undec-2-yl)-N,N-dimethylbut-2-yn-1-amine
CID 3143028
2-{8-Ethyl-8-methyl-9-oxa-2-azaspiro[5.5]undecan-2-YL}ethan-1-OL
CID 4370133
8-Ethyl-8-methyl-2-(prop-2-YN-1-YL)-9-oxa-2-azaspiro[5.5]undecane
CID 4421089
2-(10,10-Dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)acetonitrile chloride
CID 45109715
1-[(2,2-Dimethyloxan-4-yl)methyl]-4-fluoropiperidine
CID 141160118
2-(3-Fluorobutyl)-9-oxa-2-azaspiro[5.5]undecane
CID 126792499
2-[(3R)-3-fluorobutyl]-9-oxa-2-azaspiro[5.5]undecane
CID 129348510
2-[(3S)-3-fluorobutyl]-9-oxa-2-azaspiro[5.5]undecane
CID 129348511
4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine;dihydrochloride
CID 45155927
3-Oxa-8-azaspiro[5.5]undecane, 2,2-dimethyl-8-(2-propynyl)-
CID 557684
8,8-dimethyl-9-Oxa-2-azaspiro[5.5]undecane hydrochloride
CID 121224331

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecane;hydrochloride?
The IUPAC name of 2-ethyl-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecane;hydrochloride (CID 24840744) is 2-ethyl-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecane;hydrochloride.
What is the SMILES notation for 2-ethyl-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecane;hydrochloride?
The canonical SMILES for 2-ethyl-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecane;hydrochloride is CCN1CCCC2(CCOC(C)(C)C2)C1.Cl.
What is the InChIKey of 2-ethyl-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecane;hydrochloride?
The InChIKey is FNVWUPDLOYBEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO.ClH/c1-4-14-8-5-6-13(11-14)7-9-15-12(2,3)10-13;/h4-11H2,1-3H3;1H.
What are the key properties of 2-ethyl-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecane;hydrochloride?
2-ethyl-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecane;hydrochloride has a molecular weight of 247.81 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecane;hydrochloride is sourced from PubChem (CID 24840744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).