4-propan-2-yl-4-azaspiro[2.6]non-7-ene

C11H19N — CID 178173567

IUPAC4-propan-2-yl-4-azaspiro[2.6]non-7-ene
SMILESCC(C)N1CCC=CCC12CC2
InChIInChI=1S/C11H19N/c1-10(2)12-9-5-3-4-6-11(12)7-8-11/h3-4,10H,5-9H2,1-2H3
InChIKeyBGFTVFLSMPKHOE-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.58
Rot. Bonds1

About 4-propan-2-yl-4-azaspiro[2.6]non-7-ene

4-propan-2-yl-4-azaspiro[2.6]non-7-ene (PubChem CID 178173567) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 4-propan-2-yl-4-azaspiro[2.6]non-7-ene.

Molecular Properties

Compound Name4-propan-2-yl-4-azaspiro[2.6]non-7-ene
PubChem CID178173567
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name4-propan-2-yl-4-azaspiro[2.6]non-7-ene
SMILESCC(C)N1CCC=CCC12CC2
InChIInChI=1S/C11H19N/c1-10(2)12-9-5-3-4-6-11(12)7-8-11/h3-4,10H,5-9H2,1-2H3
InChIKeyBGFTVFLSMPKHOE-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-propan-2-yl-4-azaspiro[2.6]non-7-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-4-azaspiro[2.6]non-7-ene?
The IUPAC name of 4-propan-2-yl-4-azaspiro[2.6]non-7-ene (CID 178173567) is 4-propan-2-yl-4-azaspiro[2.6]non-7-ene.
What is the SMILES notation for 4-propan-2-yl-4-azaspiro[2.6]non-7-ene?
The canonical SMILES for 4-propan-2-yl-4-azaspiro[2.6]non-7-ene is CC(C)N1CCC=CCC12CC2.
What is the InChIKey of 4-propan-2-yl-4-azaspiro[2.6]non-7-ene?
The InChIKey is BGFTVFLSMPKHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-10(2)12-9-5-3-4-6-11(12)7-8-11/h3-4,10H,5-9H2,1-2H3.
What are the key properties of 4-propan-2-yl-4-azaspiro[2.6]non-7-ene?
4-propan-2-yl-4-azaspiro[2.6]non-7-ene has a molecular weight of 165.28 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-4-azaspiro[2.6]non-7-ene is sourced from PubChem (CID 178173567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).