2-azaspiro[3.5]nonane

• ChemBase ID: 248663
• Molecular Formular: C8H15N
• Molecular Mass: 125.2114
• Monoisotopic Mass: 125.12044949
• SMILES: N1CC2(C1)CCCCC2
• Canonical SMILES: C1CCC2(CC1)CNC2
• InChI: InChI=1S/C8H15N/c1-2-4-8(5-3-1)6-9-7-8/h9H,1-7H2
• InChIKey: IBODJKKYTBNWTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-azaspiro[3.5]nonane
• IUPAC Traditional name: 2-azaspiro[3.5]nonane
• Synonyms: 2-azaspiro[3.5]nonane

Database IDs

• MDL Number: MFCD11186836
• PubChem SID: 164304573
• PubChem CID: 15642945

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6957217
• LogD (pH = 7.4): -1.276972
• Log P: 1.5372115
• Molar Refractivity: 38.3499 cm^3
• Polarizability: 15.551486 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.808

Product Information

• Purity: 95%