1-cyclopropanecarbonyl-1,2,3,4-tetrahydroquinolin-7-amine

• ChemBase ID: 31808
• Molecular Formular: C13H16N2O
• Molecular Mass: 216.27894
• Monoisotopic Mass: 216.12626314
• SMILES: N1(C(=O)C2CC2)c2cc(N)ccc2CCC1
• Canonical SMILES: Nc1ccc2c(c1)N(CCC2)C(=O)C1CC1
• InChI: InChI=1S/C13H16N2O/c14-11-6-5-9-2-1-7-15(12(9)8-11)13(16)10-3-4-10/h5-6,8,10H,1-4,7,14H2
• InChIKey: ZNDAWHMDCROZJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropanecarbonyl-1,2,3,4-tetrahydroquinolin-7-amine
• IUPAC Traditional name: 1-cyclopropanecarbonyl-3,4-dihydro-2H-quinolin-7-amine
• Synonyms: (7-Amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopropyl-methanone; 1-(Cyclopropylcarbonyl)-1,2,3,4-tetrahydroquinolin-7-amine; 7-Amino-1-(cyclopropylcarbonyl)-1,2,3,4-tetrahydroquinoline; (7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone

Database IDs

• MDL Number: MFCD09261814
• PubChem SID: 160995115
• PubChem CID: 16642539

CALCULATED PROPERTIES

• Polarizability: 24.09329 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4996307
• LogD (pH = 7.4): 1.510213
• Log P: 1.5103498
• Molar Refractivity: 64.0471 cm^3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false