4',4'-dimethyl-3',4'-dihydro-2'H-spiro[cyclopropane-1,1'-naphthalene]-3-ylmethanamine hydrochloride

• ChemBase ID: 246507
• Molecular Formular: C15H22ClN
• Molecular Mass: 251.79488
• Monoisotopic Mass: 251.14407739
• SMILES: C12(CC1CN)c1c(C(CC2)(C)C)cccc1.Cl
• Canonical SMILES: NCC1CC21CCC(c1c2cccc1)(C)C.Cl
• InChI: InChI=1S/C15H21N.ClH/c1-14(2)7-8-15(9-11(15)10-16)13-6-4-3-5-12(13)14;/h3-6,11H,7-10,16H2,1-2H3;1H
• InChIKey: AONYNFNWAPPIHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4',4'-dimethyl-3',4'-dihydro-2'H-spiro[cyclopropane-1,1'-naphthalene]-3-ylmethanamine hydrochloride
• IUPAC Traditional name: 4',4'-dimethyl-2',3'-dihydrospiro[cyclopropane-1,1'-naphthalene]-3-ylmethanamine hydrochloride
• Synonyms: 4',4'-dimethyl-3',4'-dihydro-2'H-spiro[cyclopropane-1,1'-naphthalene]-3-ylmethanamine hydrochloride

Database IDs

• PubChem SID: 164302417
• PubChem CID: 71758010

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.06258513
• LogD (pH = 7.4): 0.46180943
• Log P: 2.957319
• Molar Refractivity: 67.8432 cm^3
• Polarizability: 26.870565 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.698

Product Information

• Purity: 95%