(1-ethylpiperidin-2-yl)methanamine

• ChemBase ID: 18527
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N1(C(CN)CCCC1)CC
• Canonical SMILES: CCN1CCCCC1CN
• InChI: InChI=1S/C8H18N2/c1-2-10-6-4-3-5-8(10)7-9/h8H,2-7,9H2,1H3
• InChIKey: LEKNBLYGRWKNSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-ethylpiperidin-2-yl)methanamine
• IUPAC Traditional name: (1-ethylpiperidin-2-yl)methanamine
• Synonyms: 1-(1-ethylpiperidin-2-yl)methanamine; C-(1-Ethyl-piperidin-2-yl)-methylamine; (1-ethylpiperidin-2-yl)methanamine

Database IDs

• CAS Number: 37782-46-0
• MDL Number: MFCD08059956
• PubChem SID: 160981834
• PubChem CID: 3015941

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1081617
• LogD (pH = 7.4): -1.9009067
• Log P: 0.6601268
• Molar Refractivity: 44.4987 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.402

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%