5-methyl-2-(3-methylbut-3-enylidene)-5-azaspiro[3.4]octane

C13H21N — CID 123966168

IUPAC5-methyl-2-(3-methylbut-3-enylidene)-5-azaspiro[3.4]octane
SMILESC=C(C)CC=C1CC2(CCCN2C)C1
InChIInChI=1S/C13H21N/c1-11(2)5-6-12-9-13(10-12)7-4-8-14(13)3/h6H,1,4-5,7-10H2,2-3H3/b12-6-
InChIKeySXSXDMJSSIMZIS-SDQBBNPISA-N
MW191.32 g/mol
LogP3.14
Rot. Bonds2

About 5-methyl-2-(3-methylbut-3-enylidene)-5-azaspiro[3.4]octane

5-methyl-2-(3-methylbut-3-enylidene)-5-azaspiro[3.4]octane (PubChem CID 123966168) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 5-methyl-2-(3-methylbut-3-enylidene)-5-azaspiro[3.4]octane.

Molecular Properties

Compound Name5-methyl-2-(3-methylbut-3-enylidene)-5-azaspiro[3.4]octane
PubChem CID123966168
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name5-methyl-2-(3-methylbut-3-enylidene)-5-azaspiro[3.4]octane
SMILESC=C(C)CC=C1CC2(CCCN2C)C1
InChIInChI=1S/C13H21N/c1-11(2)5-6-12-9-13(10-12)7-4-8-14(13)3/h6H,1,4-5,7-10H2,2-3H3/b12-6-
InChIKeySXSXDMJSSIMZIS-SDQBBNPISA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylbut-3-enylidene)-5-azaspiro[3.4]octane?
The IUPAC name of 5-methyl-2-(3-methylbut-3-enylidene)-5-azaspiro[3.4]octane (CID 123966168) is 5-methyl-2-(3-methylbut-3-enylidene)-5-azaspiro[3.4]octane.
What is the SMILES notation for 5-methyl-2-(3-methylbut-3-enylidene)-5-azaspiro[3.4]octane?
The canonical SMILES for 5-methyl-2-(3-methylbut-3-enylidene)-5-azaspiro[3.4]octane is C=C(C)CC=C1CC2(CCCN2C)C1.
What is the InChIKey of 5-methyl-2-(3-methylbut-3-enylidene)-5-azaspiro[3.4]octane?
The InChIKey is SXSXDMJSSIMZIS-SDQBBNPISA-N. The full InChI is InChI=1S/C13H21N/c1-11(2)5-6-12-9-13(10-12)7-4-8-14(13)3/h6H,1,4-5,7-10H2,2-3H3/b12-6-.
What are the key properties of 5-methyl-2-(3-methylbut-3-enylidene)-5-azaspiro[3.4]octane?
5-methyl-2-(3-methylbut-3-enylidene)-5-azaspiro[3.4]octane has a molecular weight of 191.32 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylbut-3-enylidene)-5-azaspiro[3.4]octane is sourced from PubChem (CID 123966168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).