8-methyl-2-[(E)-2-methylbut-2-enyl]-2-azaspiro[4.5]decane

C15H27N — CID 142354267

IUPAC8-methyl-2-[(E)-2-methylbut-2-enyl]-2-azaspiro[4.5]decane
SMILESC/C=C(\C)CN1CCC2(CCC(C)CC2)C1
InChIInChI=1S/C15H27N/c1-4-13(2)11-16-10-9-15(12-16)7-5-14(3)6-8-15/h4,14H,5-12H2,1-3H3/b13-4+
InChIKeyYYHBJIQCTHLLDC-YIXHJXPBSA-N
MW221.39 g/mol
LogP3.85
Rot. Bonds2

About 8-methyl-2-[(E)-2-methylbut-2-enyl]-2-azaspiro[4.5]decane

8-methyl-2-[(E)-2-methylbut-2-enyl]-2-azaspiro[4.5]decane (PubChem CID 142354267) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 8-methyl-2-[(E)-2-methylbut-2-enyl]-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-methyl-2-[(E)-2-methylbut-2-enyl]-2-azaspiro[4.5]decane
PubChem CID142354267
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name8-methyl-2-[(E)-2-methylbut-2-enyl]-2-azaspiro[4.5]decane
SMILESC/C=C(\C)CN1CCC2(CCC(C)CC2)C1
InChIInChI=1S/C15H27N/c1-4-13(2)11-16-10-9-15(12-16)7-5-14(3)6-8-15/h4,14H,5-12H2,1-3H3/b13-4+
InChIKeyYYHBJIQCTHLLDC-YIXHJXPBSA-N
XLogP3.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.85
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 8-methyl-2-[(E)-2-methylbut-2-enyl]-2-azaspiro[4.5]decane?
The IUPAC name of 8-methyl-2-[(E)-2-methylbut-2-enyl]-2-azaspiro[4.5]decane (CID 142354267) is 8-methyl-2-[(E)-2-methylbut-2-enyl]-2-azaspiro[4.5]decane.
What is the SMILES notation for 8-methyl-2-[(E)-2-methylbut-2-enyl]-2-azaspiro[4.5]decane?
The canonical SMILES for 8-methyl-2-[(E)-2-methylbut-2-enyl]-2-azaspiro[4.5]decane is C/C=C(\C)CN1CCC2(CCC(C)CC2)C1.
What is the InChIKey of 8-methyl-2-[(E)-2-methylbut-2-enyl]-2-azaspiro[4.5]decane?
The InChIKey is YYHBJIQCTHLLDC-YIXHJXPBSA-N. The full InChI is InChI=1S/C15H27N/c1-4-13(2)11-16-10-9-15(12-16)7-5-14(3)6-8-15/h4,14H,5-12H2,1-3H3/b13-4+.
What are the key properties of 8-methyl-2-[(E)-2-methylbut-2-enyl]-2-azaspiro[4.5]decane?
8-methyl-2-[(E)-2-methylbut-2-enyl]-2-azaspiro[4.5]decane has a molecular weight of 221.39 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[(E)-2-methylbut-2-enyl]-2-azaspiro[4.5]decane is sourced from PubChem (CID 142354267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).