(3-aminopropyl)(methyl)(propan-2-yl)amine

• ChemBase ID: 257023
• Molecular Formular: C7H18N2
• Molecular Mass: 130.23122
• Monoisotopic Mass: 130.14699859
• SMILES: N(C(C)C)(CCCN)C
• Canonical SMILES: NCCCN(C(C)C)C
• InChI: InChI=1S/C7H18N2/c1-7(2)9(3)6-4-5-8/h7H,4-6,8H2,1-3H3
• InChIKey: BYMMQCFMKZXWCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-aminopropyl)(methyl)(propan-2-yl)amine
• IUPAC Traditional name: (3-aminopropyl)(isopropyl)methylamine
• Synonyms: N-(3-aminopropyl)-N-isopropyl-N-methylamine

Database IDs

• MDL Number: MFCD09727702
• PubChem SID: 164312933
• PubChem CID: 16781009

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.452039
• LogD (pH = 7.4): -3.352213
• Log P: 0.22652838
• Molar Refractivity: 41.9707 cm^3
• Polarizability: 16.705751 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.809

Product Information

• Purity: 95%