N-cyclopropyl-1-methylpiperidin-4-amine

• ChemBase ID: 10238
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: C1C(CCN(C1)C)NC1CC1
• Canonical SMILES: CN1CCC(CC1)NC1CC1
• InChI: InChI=1S/C9H18N2/c1-11-6-4-9(5-7-11)10-8-2-3-8/h8-10H,2-7H2,1H3
• InChIKey: BJWQVPXVPMEZBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-methylpiperidin-4-amine
• IUPAC Traditional name: N-cyclopropyl-1-methylpiperidin-4-amine
• Synonyms: 4-Cyclopropylamino-1-methylpiperidine; N-Cyclopropyl-1-methylpiperidin-4-amine; 4-(Cyclopropylamino)-1-methylpiperidine

Database IDs

• CAS Number: 387358-48-7
• MDL Number: MFCD01941329
• PubChem SID: 160973545
• PubChem CID: 2735901

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.696687
• LogD (pH = 7.4): -2.7191644
• Log P: 0.29949218
• Molar Refractivity: 47.3557 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 36°C/0.037mm; 36°C/0.05mm

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false