9-methyl-3-azaspiro[5.5]undec-9-ene

C11H19N — CID 118357408

IUPAC9-methyl-3-azaspiro[5.5]undec-9-ene
SMILESCC1=CCC2(CCNCC2)CC1
InChIInChI=1S/C11H19N/c1-10-2-4-11(5-3-10)6-8-12-9-7-11/h2,12H,3-9H2,1H3
InChIKeyKIRZSZLBPMRVTH-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.49
Rot. Bonds

About 9-methyl-3-azaspiro[5.5]undec-9-ene

9-methyl-3-azaspiro[5.5]undec-9-ene (PubChem CID 118357408) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 9-methyl-3-azaspiro[5.5]undec-9-ene.

Molecular Properties

Compound Name9-methyl-3-azaspiro[5.5]undec-9-ene
PubChem CID118357408
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name9-methyl-3-azaspiro[5.5]undec-9-ene
SMILESCC1=CCC2(CCNCC2)CC1
InChIInChI=1S/C11H19N/c1-10-2-4-11(5-3-10)6-8-12-9-7-11/h2,12H,3-9H2,1H3
InChIKeyKIRZSZLBPMRVTH-UHFFFAOYSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
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 9-methyl-3-azaspiro[5.5]undec-9-ene?
The IUPAC name of 9-methyl-3-azaspiro[5.5]undec-9-ene (CID 118357408) is 9-methyl-3-azaspiro[5.5]undec-9-ene.
What is the SMILES notation for 9-methyl-3-azaspiro[5.5]undec-9-ene?
The canonical SMILES for 9-methyl-3-azaspiro[5.5]undec-9-ene is CC1=CCC2(CCNCC2)CC1.
What is the InChIKey of 9-methyl-3-azaspiro[5.5]undec-9-ene?
The InChIKey is KIRZSZLBPMRVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-10-2-4-11(5-3-10)6-8-12-9-7-11/h2,12H,3-9H2,1H3.
What are the key properties of 9-methyl-3-azaspiro[5.5]undec-9-ene?
9-methyl-3-azaspiro[5.5]undec-9-ene has a molecular weight of 165.28 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-azaspiro[5.5]undec-9-ene is sourced from PubChem (CID 118357408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).