7,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecane;ethane;methane

C13H29NO2 — CID 143049086

IUPAC7,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecane;ethane;methane
SMILESC.CC.CC1CN(C)CCC2(C1)OCCO2
InChIInChI=1S/C10H19NO2.C2H6.CH4/c1-9-7-10(12-5-6-13-10)3-4-11(2)8-9;1-2;/h9H,3-8H2,1-2H3;1-2H3;1H4
InChIKeyCHACQZOVGNTTRQ-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.75
Rot. Bonds

About 7,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecane;ethane;methane

7,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecane;ethane;methane (PubChem CID 143049086) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 7,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecane;ethane;methane.

Molecular Properties

Compound Name7,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecane;ethane;methane
PubChem CID143049086
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name7,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecane;ethane;methane
SMILESC.CC.CC1CN(C)CCC2(C1)OCCO2
InChIInChI=1S/C10H19NO2.C2H6.CH4/c1-9-7-10(12-5-6-13-10)3-4-11(2)8-9;1-2;/h9H,3-8H2,1-2H3;1-2H3;1H4
InChIKeyCHACQZOVGNTTRQ-UHFFFAOYSA-N
XLogP2.75
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecane;ethane;methane 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

(8S)-6,8-dimethyl-6-azaspiro[2.6]nonane
CID 166891491
7,9-dimethyl-1,4-dioxaspiro[4.5]decane
CID 23529851
8-(3,3,4,4-tetramethylcyclopentyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 58930693
(3R)-1,3-dimethylpyrrolidine;ethane
CID 90814408
ethane;2-methyl-5,8-dioxa-2-azaspiro[3.4]octane
CID 164532769
6,8-dimethyl-2-oxa-8-azaspiro[3.5]nonane;ethane
CID 178097454
ethane;8-propyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 143370100
2-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide
CID 79672321
ethane;8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-one
CID 144669099
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylazetidine
CID 79672192
(3R)-1,3-dimethylpyrrolidine
CID 58412242
(8R)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 95431886

Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecane;ethane;methane?
The IUPAC name of 7,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecane;ethane;methane (CID 143049086) is 7,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecane;ethane;methane.
What is the SMILES notation for 7,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecane;ethane;methane?
The canonical SMILES for 7,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecane;ethane;methane is C.CC.CC1CN(C)CCC2(C1)OCCO2.
What is the InChIKey of 7,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecane;ethane;methane?
The InChIKey is CHACQZOVGNTTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C2H6.CH4/c1-9-7-10(12-5-6-13-10)3-4-11(2)8-9;1-2;/h9H,3-8H2,1-2H3;1-2H3;1H4.
What are the key properties of 7,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecane;ethane;methane?
7,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecane;ethane;methane has a molecular weight of 231.38 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecane;ethane;methane is sourced from PubChem (CID 143049086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).