6-(2-ethylpiperidin-1-yl)pyridin-3-amine

• ChemBase ID: 48332
• Molecular Formular: C12H19N3
• Molecular Mass: 205.29936
• Monoisotopic Mass: 205.15789762
• SMILES: N1(c2ncc(N)cc2)C(CC)CCCC1
• Canonical SMILES: CCC1CCCCN1c1ccc(cn1)N
• InChI: InChI=1S/C12H19N3/c1-2-11-5-3-4-8-15(11)12-7-6-10(13)9-14-12/h6-7,9,11H,2-5,8,13H2,1H3
• InChIKey: IUMXSODXNVPVLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-ethylpiperidin-1-yl)pyridin-3-amine
• IUPAC Traditional name: 6-(2-ethylpiperidin-1-yl)pyridin-3-amine
• Synonyms: 6-(2-Ethyl-1-piperidinyl)-3-pyridinamine

Database IDs

• MDL Number: MFCD09882495
• PubChem SID: 162053095
• PubChem CID: 24253286

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2868447
• LogD (pH = 7.4): 2.315016
• Log P: 2.4186125
• Molar Refractivity: 64.4284 cm^3
• Polarizability: 23.873987 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false