(6R,10S)-10-ethyl-10-methyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane

C15H25NO — CID 94798251

IUPAC(6R,10S)-10-ethyl-10-methyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane
SMILESC#CCN1CCC[C@]2(CCO[C@@](C)(CC)C2)C1
InChIInChI=1S/C15H25NO/c1-4-9-16-10-6-7-15(13-16)8-11-17-14(3,5-2)12-15/h1H,5-13H2,2-3H3/t14-,15+/m0/s1
InChIKeyYZKWUMWYGAQFHQ-LSDHHAIUSA-N
MW235.37 g/mol
LogP2.68
Rot. Bonds2

About (6R,10S)-10-ethyl-10-methyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane

(6R,10S)-10-ethyl-10-methyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane (PubChem CID 94798251) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (6R,10S)-10-ethyl-10-methyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane.

Molecular Properties

Compound Name(6R,10S)-10-ethyl-10-methyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane
PubChem CID94798251
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(6R,10S)-10-ethyl-10-methyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane
SMILESC#CCN1CCC[C@]2(CCO[C@@](C)(CC)C2)C1
InChIInChI=1S/C15H25NO/c1-4-9-16-10-6-7-15(13-16)8-11-17-14(3,5-2)12-15/h1H,5-13H2,2-3H3/t14-,15+/m0/s1
InChIKeyYZKWUMWYGAQFHQ-LSDHHAIUSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6R,10S)-10-ethyl-10-methyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(6S,10R)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetate
CID 7241657
2-[(6R,10S)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylethanol
CID 7302177
3-methyl-1-prop-2-ynylpiperidine-3-carboxylic acid
CID 63137152
3-[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylpropan-1-ol
CID 1286998
4-(aminomethyl)-2-ethyl-2-methyl-N-prop-2-ynyloxan-4-amine
CID 65381384
9-ethyl-2-oxa-9-azaspiro[4.5]decane
CID 146386643
(3-fluoro-1-prop-2-ynylpiperidin-3-yl)methanol
CID 126996469
4-[(6R,10S)-10-ethyl-10-methyl-9-oxa-2-azoniaspiro[5.5]undecan-2-yl]but-2-ynyl-dimethylazanium
CID 7074822
4-[(6S,10R)-10-ethyl-10-methyl-9-oxa-2-azoniaspiro[5.5]undecan-2-yl]but-2-ynyl-dimethylazanium
CID 7074824
[4-(4,4-dimethylazepan-1-yl)-2-ethyl-2-methyloxan-4-yl]methanamine
CID 65283239
N-[4-(aminomethyl)-2-ethyl-2-methyloxan-4-yl]piperidin-1-amine
CID 83010918
8-ethyl-2-oxa-8-azaspiro[5.5]undecane
CID 153357345

Frequently Asked Questions

What is the IUPAC name of (6R,10S)-10-ethyl-10-methyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane?
The IUPAC name of (6R,10S)-10-ethyl-10-methyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane (CID 94798251) is (6R,10S)-10-ethyl-10-methyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane.
What is the SMILES notation for (6R,10S)-10-ethyl-10-methyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane?
The canonical SMILES for (6R,10S)-10-ethyl-10-methyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane is C#CCN1CCC[C@]2(CCO[C@@](C)(CC)C2)C1.
What is the InChIKey of (6R,10S)-10-ethyl-10-methyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane?
The InChIKey is YZKWUMWYGAQFHQ-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-9-16-10-6-7-15(13-16)8-11-17-14(3,5-2)12-15/h1H,5-13H2,2-3H3/t14-,15+/m0/s1.
What are the key properties of (6R,10S)-10-ethyl-10-methyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane?
(6R,10S)-10-ethyl-10-methyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane has a molecular weight of 235.37 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,10S)-10-ethyl-10-methyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane is sourced from PubChem (CID 94798251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).