(1S,2R,9R,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one hydrochloride

• ChemBase ID: 181794
• Molecular Formular: C15H25ClN2O
• Molecular Mass: 284.8248
• Monoisotopic Mass: 284.16554111
• SMILES: N12[C@@H]([C@H]3[C@H]4[C@@H](C1)CCCN4CCC3)CCCC2=O.Cl
• Canonical SMILES: O=C1CCC[C@H]2N1C[C@H]1CCCN3[C@H]1[C@H]2CCC3.Cl
• InChI: InChI=1S/C15H24N2O.ClH/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14;/h11-13,15H,1-10H2;1H/t11-,12+,13-,15-;/m1./s1
• InChIKey: MJBBMEYXYSTNNQ-QFPRBFEASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2R,9R,17R)-7,13-diazatetracyclo[7.7.1.0^2,^7.0^1^3,^1^7]heptadecan-6-one hydrochloride
• IUPAC Traditional name: (1S,2R,9R,17R)-7,13-diazatetracyclo[7.7.1.0^2,^7.0^1^3,^1^7]heptadecan-6-one hydrochloride

Database IDs

• PubChem SID: 164237704
• PubChem CID: 52993212

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.3545346
• LogD (pH = 7.4): -1.248441
• Log P: 1.0759273
• Molar Refractivity: 71.4485 cm^3
• Polarizability: 28.175423 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Genuine Natural Compounds