ethane;7-ethyl-6-oxa-2-azoniaspiro[3.5]nonane

C11H24NO+ — CID 170727597

IUPACethane;7-ethyl-6-oxa-2-azoniaspiro[3.5]nonane
SMILESCC.CCC1CCC2(C[NH2+]C2)CO1
InChIInChI=1S/C9H17NO.C2H6/c1-2-8-3-4-9(7-11-8)5-10-6-9;1-2/h8,10H,2-7H2,1H3;1-2H3/p+1
InChIKeyACDGAGLCKOQOHK-UHFFFAOYSA-O
MW186.32 g/mol
LogP1.16
Rot. Bonds1

About ethane;7-ethyl-6-oxa-2-azoniaspiro[3.5]nonane

ethane;7-ethyl-6-oxa-2-azoniaspiro[3.5]nonane (PubChem CID 170727597) has the molecular formula C11H24NO+ and a molecular weight of 186.32 g/mol. Its IUPAC name is ethane;7-ethyl-6-oxa-2-azoniaspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;7-ethyl-6-oxa-2-azoniaspiro[3.5]nonane
PubChem CID170727597
Molecular FormulaC11H24NO+
Molecular Weight186.32 g/mol
Exact Mass186.19
IUPAC Nameethane;7-ethyl-6-oxa-2-azoniaspiro[3.5]nonane
SMILESCC.CCC1CCC2(C[NH2+]C2)CO1
InChIInChI=1S/C9H17NO.C2H6/c1-2-8-3-4-9(7-11-8)5-10-6-9;1-2/h8,10H,2-7H2,1H3;1-2H3/p+1
InChIKeyACDGAGLCKOQOHK-UHFFFAOYSA-O
XLogP1.16
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;7-ethyl-6-oxa-2-azoniaspiro[3.5]nonane 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

3-(Oxan-2-yl)azetidine;hydrochloride
CID 137499388
Ethane;6-oxa-2-azaspiro[3.5]nonane
CID 145338521
7-Methoxy-2-azaspiro[3.5]nonane hydrochloride
CID 146050336
7-Methoxy-2-azaspiro[3.5]nonane
CID 146050337
3-[1-(4-Propan-2-yloxan-2-yl)propan-2-yl]azetidine
CID 148313691
7-Methoxy-2-azoniaspiro[3.5]nonane
CID 156729271
3-(3-Methoxybutyl)-3-methylazetidine
CID 165137098
7-Ethoxy-2-azaspiro[3.5]nonane
CID 165138130
7-Propan-2-yloxy-2-azaspiro[3.5]nonane
CID 166744038
2-(2,2-Dimethylpropyl)-1-oxa-7-azaspiro[3.5]nonane
CID 169321917
7-[(2-Methylpropan-2-yl)oxy]-2-azaspiro[3.5]nonane
CID 169685013
3-(3-Ethoxybutyl)-3-ethylazetidine
CID 170260324

Frequently Asked Questions

What is the IUPAC name of ethane;7-ethyl-6-oxa-2-azoniaspiro[3.5]nonane?
The IUPAC name of ethane;7-ethyl-6-oxa-2-azoniaspiro[3.5]nonane (CID 170727597) is ethane;7-ethyl-6-oxa-2-azoniaspiro[3.5]nonane.
What is the SMILES notation for ethane;7-ethyl-6-oxa-2-azoniaspiro[3.5]nonane?
The canonical SMILES for ethane;7-ethyl-6-oxa-2-azoniaspiro[3.5]nonane is CC.CCC1CCC2(C[NH2+]C2)CO1.
What is the InChIKey of ethane;7-ethyl-6-oxa-2-azoniaspiro[3.5]nonane?
The InChIKey is ACDGAGLCKOQOHK-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H17NO.C2H6/c1-2-8-3-4-9(7-11-8)5-10-6-9;1-2/h8,10H,2-7H2,1H3;1-2H3/p+1.
What are the key properties of ethane;7-ethyl-6-oxa-2-azoniaspiro[3.5]nonane?
ethane;7-ethyl-6-oxa-2-azoniaspiro[3.5]nonane has a molecular weight of 186.32 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-ethyl-6-oxa-2-azoniaspiro[3.5]nonane is sourced from PubChem (CID 170727597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).