{6-azaspiro[2.5]octan-1-ylmethyl}(cyclopropylmethyl)amine dihydrochloride

• ChemBase ID: 245298
• Molecular Formular: C12H24Cl2N2
• Molecular Mass: 267.23836
• Monoisotopic Mass: 266.13165414
• SMILES: C12(CC1CNCC1CC1)CCNCC2.Cl.Cl
• Canonical SMILES: N(CC1CC1)CC1CC21CCNCC2.Cl.Cl
• InChI: InChI=1S/C12H22N2.2ClH/c1-2-10(1)8-14-9-11-7-12(11)3-5-13-6-4-12;;/h10-11,13-14H,1-9H2;2*1H
• InChIKey: YSMBEYWRHPHYLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {6-azaspiro[2.5]octan-1-ylmethyl}(cyclopropylmethyl)amine dihydrochloride
• IUPAC Traditional name: {6-azaspiro[2.5]octan-1-ylmethyl}(cyclopropylmethyl)amine dihydrochloride
• Synonyms: {6-azaspiro[2.5]octan-1-ylmethyl}(cyclopropylmethyl)amine dihydrochloride

Database IDs

• MDL Number: MFCD23144033
• PubChem SID: 164301208
• PubChem CID: 71757681

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.654011
• LogD (pH = 7.4): -4.9668155
• Log P: 0.81539804
• Molar Refractivity: 58.8313 cm^3
• Polarizability: 23.718283 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.0

Product Information

• Purity: 95%