2-methyl-2-(4-methylpiperidin-1-yl)propan-1-amine

• ChemBase ID: 33041
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: N1(C(CN)(C)C)CCC(CC1)C
• Canonical SMILES: NCC(N1CCC(CC1)C)(C)C
• InChI: InChI=1S/C10H22N2/c1-9-4-6-12(7-5-9)10(2,3)8-11/h9H,4-8,11H2,1-3H3
• InChIKey: NHAIMMHBFBAOOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-(4-methylpiperidin-1-yl)propan-1-amine
• IUPAC Traditional name: 2-methyl-2-(4-methylpiperidin-1-yl)propan-1-amine
• Synonyms: 2-Methyl-2-(4-methyl-1-piperidinyl)-1-propanamine; 2-Methyl-2-(4-methylpiperidin-1-yl)propan-1-amine; 2-methyl-2-(4-methyl-1-piperidinyl)-1-propanamine

Database IDs

• CAS Number: 933724-18-6
• MDL Number: MFCD09864569
• PubChem SID: 160996348
• PubChem CID: 24701146

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7170398
• LogD (pH = 7.4): -1.5702586
• Log P: 1.2277225
• Molar Refractivity: 53.6855 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C10H22N2

DETAILS

Sigma Aldrich - CBR00304

Other Notes
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Legal Information
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