10-(cyclopropylmethyl)-3,10-diazabicyclo[4.3.1]decane

• ChemBase ID: 281651
• Molecular Formular: C12H22N2
• Molecular Mass: 194.31648
• Monoisotopic Mass: 194.17829871
• SMILES: N1(CC2CC2)C2CCNCC1CCC2
• Canonical SMILES: C1NCC2N(C(C1)CCC2)CC1CC1
• InChI: InChI=1S/C12H22N2/c1-2-11-6-7-13-8-12(3-1)14(11)9-10-4-5-10/h10-13H,1-9H2
• InChIKey: RKWLVTSEEVCDIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-(cyclopropylmethyl)-3,10-diazabicyclo[4.3.1]decane
• IUPAC Traditional name: 10-(cyclopropylmethyl)-3,10-diazabicyclo[4.3.1]decane
• Synonyms: 10-(cyclopropylmethyl)-3,10-diazabicyclo[4.3.1]decane

Database IDs

• MDL Number: MFCD13196462
• PubChem SID: 180667182
• PubChem CID: 45792759

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.3005896
• LogD (pH = 7.4): -2.3967838
• Log P: 1.4646784
• Molar Refractivity: 59.0333 cm^3
• Polarizability: 23.718283 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.818

Product Information

• Purity: 95%