2-methyl-6-propan-2-yl-2-azaspiro[3.4]oct-6-ene

C11H19N — CID 166879734

IUPAC2-methyl-6-propan-2-yl-2-azaspiro[3.4]oct-6-ene
SMILESCC(C)C1=CCC2(C1)CN(C)C2
InChIInChI=1S/C11H19N/c1-9(2)10-4-5-11(6-10)7-12(3)8-11/h4,9H,5-8H2,1-3H3
InChIKeyGNBSWBLGOURXIN-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.29
Rot. Bonds1

About 2-methyl-6-propan-2-yl-2-azaspiro[3.4]oct-6-ene

2-methyl-6-propan-2-yl-2-azaspiro[3.4]oct-6-ene (PubChem CID 166879734) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yl-2-azaspiro[3.4]oct-6-ene.

Molecular Properties

Compound Name2-methyl-6-propan-2-yl-2-azaspiro[3.4]oct-6-ene
PubChem CID166879734
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-methyl-6-propan-2-yl-2-azaspiro[3.4]oct-6-ene
SMILESCC(C)C1=CCC2(C1)CN(C)C2
InChIInChI=1S/C11H19N/c1-9(2)10-4-5-11(6-10)7-12(3)8-11/h4,9H,5-8H2,1-3H3
InChIKeyGNBSWBLGOURXIN-UHFFFAOYSA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.29
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 2-methyl-6-propan-2-yl-2-azaspiro[3.4]oct-6-ene?
The IUPAC name of 2-methyl-6-propan-2-yl-2-azaspiro[3.4]oct-6-ene (CID 166879734) is 2-methyl-6-propan-2-yl-2-azaspiro[3.4]oct-6-ene.
What is the SMILES notation for 2-methyl-6-propan-2-yl-2-azaspiro[3.4]oct-6-ene?
The canonical SMILES for 2-methyl-6-propan-2-yl-2-azaspiro[3.4]oct-6-ene is CC(C)C1=CCC2(C1)CN(C)C2.
What is the InChIKey of 2-methyl-6-propan-2-yl-2-azaspiro[3.4]oct-6-ene?
The InChIKey is GNBSWBLGOURXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-9(2)10-4-5-11(6-10)7-12(3)8-11/h4,9H,5-8H2,1-3H3.
What are the key properties of 2-methyl-6-propan-2-yl-2-azaspiro[3.4]oct-6-ene?
2-methyl-6-propan-2-yl-2-azaspiro[3.4]oct-6-ene has a molecular weight of 165.28 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-yl-2-azaspiro[3.4]oct-6-ene is sourced from PubChem (CID 166879734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).