6-(5-methyl-2-prop-1-en-2-ylphenyl)-6-azaspiro[2.5]octane

C17H23N — CID 166801108

IUPAC6-(5-methyl-2-prop-1-en-2-ylphenyl)-6-azaspiro[2.5]octane
SMILESC=C(C)c1ccc(C)cc1N1CCC2(CC1)CC2
InChIInChI=1S/C17H23N/c1-13(2)15-5-4-14(3)12-16(15)18-10-8-17(6-7-17)9-11-18/h4-5,12H,1,6-11H2,2-3H3
InChIKeyCXPOTUMCYSWTMU-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.41
Rot. Bonds2

About 6-(5-methyl-2-prop-1-en-2-ylphenyl)-6-azaspiro[2.5]octane

6-(5-methyl-2-prop-1-en-2-ylphenyl)-6-azaspiro[2.5]octane (PubChem CID 166801108) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 6-(5-methyl-2-prop-1-en-2-ylphenyl)-6-azaspiro[2.5]octane.

Molecular Properties

Compound Name6-(5-methyl-2-prop-1-en-2-ylphenyl)-6-azaspiro[2.5]octane
PubChem CID166801108
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name6-(5-methyl-2-prop-1-en-2-ylphenyl)-6-azaspiro[2.5]octane
SMILESC=C(C)c1ccc(C)cc1N1CCC2(CC1)CC2
InChIInChI=1S/C17H23N/c1-13(2)15-5-4-14(3)12-16(15)18-10-8-17(6-7-17)9-11-18/h4-5,12H,1,6-11H2,2-3H3
InChIKeyCXPOTUMCYSWTMU-UHFFFAOYSA-N
XLogP4.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-2-prop-1-en-2-ylphenyl)-6-azaspiro[2.5]octane?
The IUPAC name of 6-(5-methyl-2-prop-1-en-2-ylphenyl)-6-azaspiro[2.5]octane (CID 166801108) is 6-(5-methyl-2-prop-1-en-2-ylphenyl)-6-azaspiro[2.5]octane.
What is the SMILES notation for 6-(5-methyl-2-prop-1-en-2-ylphenyl)-6-azaspiro[2.5]octane?
The canonical SMILES for 6-(5-methyl-2-prop-1-en-2-ylphenyl)-6-azaspiro[2.5]octane is C=C(C)c1ccc(C)cc1N1CCC2(CC1)CC2.
What is the InChIKey of 6-(5-methyl-2-prop-1-en-2-ylphenyl)-6-azaspiro[2.5]octane?
The InChIKey is CXPOTUMCYSWTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-13(2)15-5-4-14(3)12-16(15)18-10-8-17(6-7-17)9-11-18/h4-5,12H,1,6-11H2,2-3H3.
What are the key properties of 6-(5-methyl-2-prop-1-en-2-ylphenyl)-6-azaspiro[2.5]octane?
6-(5-methyl-2-prop-1-en-2-ylphenyl)-6-azaspiro[2.5]octane has a molecular weight of 241.38 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-2-prop-1-en-2-ylphenyl)-6-azaspiro[2.5]octane is sourced from PubChem (CID 166801108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).