10-cyclopropyl-3,10-diazabicyclo[4.3.1]decane

• ChemBase ID: 281650
• Molecular Formular: C11H20N2
• Molecular Mass: 180.2899
• Monoisotopic Mass: 180.16264865
• SMILES: N1(C2CC2)C2CCNCC1CCC2
• Canonical SMILES: C1NCC2N(C(C1)CCC2)C1CC1
• InChI: InChI=1S/C11H20N2/c1-2-9-6-7-12-8-11(3-1)13(9)10-4-5-10/h9-12H,1-8H2
• InChIKey: WNGLXRHWIDDNOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-cyclopropyl-3,10-diazabicyclo[4.3.1]decane
• IUPAC Traditional name: 10-cyclopropyl-3,10-diazabicyclo[4.3.1]decane
• Synonyms: 10-cyclopropyl-3,10-diazabicyclo[4.3.1]decane

Database IDs

• MDL Number: MFCD13196461
• PubChem SID: 180667181
• PubChem CID: 45792758

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.456839
• LogD (pH = 7.4): -2.3903828
• Log P: 1.1496657
• Molar Refractivity: 54.3025 cm^3
• Polarizability: 21.872458 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.339

Product Information

• Purity: 95%