(1R,2R,4S,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol

• ChemBase ID: 204968
• Molecular Formular: C15H26N2O
• Molecular Mass: 250.37974
• Monoisotopic Mass: 250.20451346
• SMILES: N12[C@@H]([C@H]3CN4[C@H]([C@H](C1)C3)CCCC4)C[C@H](CC2)O
• Canonical SMILES: O[C@H]1CCN2[C@H](C1)[C@H]1CN3[C@H]([C@H](C2)C1)CCCC3
• InChI: InChI=1S/C15H26N2O/c18-13-4-6-17-9-11-7-12(15(17)8-13)10-16-5-2-1-3-14(11)16/h11-15,18H,1-10H2/t11-,12+,13-,14-,15+/m0/s1
• InChIKey: MMXKVQSOWVEFOB-AIEDFZFUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R,4S,9S,10S)-7,15-diazatetracyclo[7.7.1.0^2,^7.0^1^0,^1^5]heptadecan-4-ol
• IUPAC Traditional name: (1R,2R,4S,9S,10S)-7,15-diazatetracyclo[7.7.1.0^2,^7.0^1^0,^1^5]heptadecan-4-ol

Database IDs

• PubChem SID: 164260878
• PubChem CID: 16401264

CALCULATED PROPERTIES

• Acid pKa: 15.169459
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.100617
• LogD (pH = 7.4): -2.4221869
• Log P: 0.49552095
• Molar Refractivity: 73.4053 cm^3
• Polarizability: 29.11622 Å^3
• Polar Surface Area: 26.71 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Diastereomers
• Classification: Rare Genuine Natural Compounds