10,10-dimethyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane

C14H23NO — CID 557684

IUPAC10,10-dimethyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane
SMILESC#CCN1CCCC2(CCOC(C)(C)C2)C1
InChIInChI=1S/C14H23NO/c1-4-8-15-9-5-6-14(12-15)7-10-16-13(2,3)11-14/h1H,5-12H2,2-3H3
InChIKeyORIYYODJNDTELE-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.29
Rot. Bonds1

About 10,10-dimethyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane

10,10-dimethyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane (PubChem CID 557684) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 10,10-dimethyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane.

Molecular Properties

Compound Name10,10-dimethyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane
PubChem CID557684
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name10,10-dimethyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane
SMILESC#CCN1CCCC2(CCOC(C)(C)C2)C1
InChIInChI=1S/C14H23NO/c1-4-8-15-9-5-6-14(12-15)7-10-16-13(2,3)11-14/h1H,5-12H2,2-3H3
InChIKeyORIYYODJNDTELE-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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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
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
2,2-Dimethyl-8-ethyl-3-oxa-8-azaspiro(5.5)undecane hydrochloride
CID 24840744
4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine;dihydrochloride
CID 45155927
9-Methyl-2-oxa-9-azaspiro[5.5]undecane
CID 59418224
2-Methyl-9-oxa-2-azaspiro[5.5]undecane
CID 88983370
9-Ethyl-2-oxa-9-azaspiro[5.5]undecane
CID 89417730
3,9-Dimethyl-2-oxa-9-azaspiro[5.5]undecane
CID 124170874
Ethane;9-methyl-2-oxa-9-azaspiro[5.5]undecane
CID 143675049
Ethane;2-methyl-9-oxa-2-azaspiro[5.5]undecane
CID 143816765

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane?
The IUPAC name of 10,10-dimethyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane (CID 557684) is 10,10-dimethyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane.
What is the SMILES notation for 10,10-dimethyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane?
The canonical SMILES for 10,10-dimethyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane is C#CCN1CCCC2(CCOC(C)(C)C2)C1.
What is the InChIKey of 10,10-dimethyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane?
The InChIKey is ORIYYODJNDTELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-8-15-9-5-6-14(12-15)7-10-16-13(2,3)11-14/h1H,5-12H2,2-3H3.
What are the key properties of 10,10-dimethyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane?
10,10-dimethyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane has a molecular weight of 221.34 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane is sourced from PubChem (CID 557684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).