1-cyclopropyl-decahydro-1,6-naphthyridine

• ChemBase ID: 241427
• Molecular Formular: C11H20N2
• Molecular Mass: 180.2899
• Monoisotopic Mass: 180.16264865
• SMILES: N1(C2CC2)C2C(CNCC2)CCC1
• Canonical SMILES: C1NCC2C(C1)N(CCC2)C1CC1
• InChI: InChI=1S/C11H20N2/c1-2-9-8-12-6-5-11(9)13(7-1)10-3-4-10/h9-12H,1-8H2
• InChIKey: RWCSXGLLLAJTJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-decahydro-1,6-naphthyridine
• IUPAC Traditional name: 1-cyclopropyl-octahydro-2H-1,6-naphthyridine
• Synonyms: 1-cyclopropyl-decahydro-1,6-naphthyridine

Database IDs

• MDL Number: MFCD22421877
• PubChem SID: 164297337
• PubChem CID: 71756782

CALCULATED PROPERTIES

• Molar Refractivity: 54.6415 cm^3
• Polarizability: 21.872458 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.5505247
• LogD (pH = 7.4): -2.4555295
• Log P: 0.7498515

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.925

Product Information

• Purity: 95%