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

• ChemBase ID: 246462
• Molecular Formular: C14H20ClN
• Molecular Mass: 237.7683
• Monoisotopic Mass: 237.12842733
• SMILES: C12(CC1N)c1c(C(CC2)(C)C)cccc1.Cl
• Canonical SMILES: NC1CC21CCC(c1c2cccc1)(C)C.Cl
• InChI: InChI=1S/C14H19N.ClH/c1-13(2)7-8-14(9-12(14)15)11-6-4-3-5-10(11)13;/h3-6,12H,7-9,15H2,1-2H3;1H
• InChIKey: WNMSROYTWIWHBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD23144305
• PubChem SID: 164302372
• PubChem CID: 71758001

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.16369097
• LogD (pH = 7.4): 0.9403888
• Log P: 2.7982137
• Molar Refractivity: 62.9584 cm^3
• Polarizability: 25.02279 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.459

Product Information

• Purity: 95%