{1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl}methanamine

• ChemBase ID: 143988
• Molecular Formular: C10H21N3
• Molecular Mass: 183.29384
• Monoisotopic Mass: 183.17354769
• SMILES: CN1CCN(CC1)CC1(CC1)CN
• Canonical SMILES: NCC1(CC1)CN1CCN(CC1)C
• InChI: InChI=1S/C10H21N3/c1-12-4-6-13(7-5-12)9-10(8-11)2-3-10/h2-9,11H2,1H3
• InChIKey: FORGGLWHUSAYED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl}methanamine
• IUPAC Traditional name: {1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl}methanamine
• Synonyms: ((1-[(4-Methyl-1-piperazinyl)methyl]cyclopropyl)methyl)amine; ({1-[(4-methyl-1-piperazinyl)methyl]cyclopropyl}methyl)amine

Database IDs

• CAS Number: 1015846-52-2
• MDL Number: MFCD09971261
• PubChem SID: 162238205
• PubChem CID: 45791164

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.7140474
• LogD (pH = 7.4): -3.304308
• Log P: -0.19178578
• Molar Refractivity: 55.8105 cm^3
• Polarizability: 22.286194 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C10H21N3

DETAILS

Sigma Aldrich - CBR00307

Other Notes
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Legal Information
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