4,5-dimethyl-4-azaspiro[2.5]octane;ethane

C11H23N — CID 178026698

IUPAC4,5-dimethyl-4-azaspiro[2.5]octane;ethane
SMILESCC.CC1CCCC2(CC2)N1C
InChIInChI=1S/C9H17N.C2H6/c1-8-4-3-5-9(6-7-9)10(8)2;1-2/h8H,3-7H2,1-2H3;1-2H3
InChIKeyNKBRNGXNFFYNAJ-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.05
Rot. Bonds

About 4,5-dimethyl-4-azaspiro[2.5]octane;ethane

4,5-dimethyl-4-azaspiro[2.5]octane;ethane (PubChem CID 178026698) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 4,5-dimethyl-4-azaspiro[2.5]octane;ethane.

Molecular Properties

Compound Name4,5-dimethyl-4-azaspiro[2.5]octane;ethane
PubChem CID178026698
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name4,5-dimethyl-4-azaspiro[2.5]octane;ethane
SMILESCC.CC1CCCC2(CC2)N1C
InChIInChI=1S/C9H17N.C2H6/c1-8-4-3-5-9(6-7-9)10(8)2;1-2/h8H,3-7H2,1-2H3;1-2H3
InChIKeyNKBRNGXNFFYNAJ-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,5-dimethyl-4-azaspiro[2.5]octane
CID 118971450
1,2,2,6-tetramethylpiperidine
CID 23423758
6,7-dimethyl-1,4-dioxa-6-azaspiro[4.4]nonane;ethane
CID 145305346
(2R,7S)-1,2,7-trimethylazepane
CID 142119830
(5R)-5-ethyl-4-methyl-4-azaspiro[2.4]heptane
CID 158540450
4-methyl-4-azaspiro[2.4]heptane-5-carbonitrile
CID 170607697
(5S)-2,5-dimethyl-2-azaspiro[3.4]octane;ethane
CID 169125292
2-(2,6-dimethylpiperidin-1-yl)ethanethiol
CID 19607260
(5R,8S)-1,8-dimethyl-1-azaspiro[4.4]nonane
CID 169125835
2,2,6-trimethyl-1-nitrosopiperidine
CID 154166469
1-(4-azaspiro[2.5]octan-4-yl)ethanone;1-(2-methylpiperidin-1-yl)ethanone
CID 165398573
(2R,6R)-2,6-dimethyl-1-propan-2-ylpiperidine
CID 130875650

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-4-azaspiro[2.5]octane;ethane?
The IUPAC name of 4,5-dimethyl-4-azaspiro[2.5]octane;ethane (CID 178026698) is 4,5-dimethyl-4-azaspiro[2.5]octane;ethane.
What is the SMILES notation for 4,5-dimethyl-4-azaspiro[2.5]octane;ethane?
The canonical SMILES for 4,5-dimethyl-4-azaspiro[2.5]octane;ethane is CC.CC1CCCC2(CC2)N1C.
What is the InChIKey of 4,5-dimethyl-4-azaspiro[2.5]octane;ethane?
The InChIKey is NKBRNGXNFFYNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C2H6/c1-8-4-3-5-9(6-7-9)10(8)2;1-2/h8H,3-7H2,1-2H3;1-2H3.
What are the key properties of 4,5-dimethyl-4-azaspiro[2.5]octane;ethane?
4,5-dimethyl-4-azaspiro[2.5]octane;ethane has a molecular weight of 169.31 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-4-azaspiro[2.5]octane;ethane is sourced from PubChem (CID 178026698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).