3-(aminomethyl)pentan-3-amine

• ChemBase ID: 274330
• Molecular Formular: C6H16N2
• Molecular Mass: 116.20464
• Monoisotopic Mass: 116.13134852
• SMILES: C(N)(CN)(CC)CC
• Canonical SMILES: CCC(CN)(CC)N
• InChI: InChI=1S/C6H16N2/c1-3-6(8,4-2)5-7/h3-5,7-8H2,1-2H3
• InChIKey: ZVZPXKGMHIJPET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(aminomethyl)pentan-3-amine
• IUPAC Traditional name: 3-(aminomethyl)pentan-3-amine
• Synonyms: 3-(aminomethyl)pentan-3-amine

Database IDs

• MDL Number: MFCD12190244
• PubChem SID: 164330240
• PubChem CID: 432996

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.4796886
• LogD (pH = 7.4): -2.443576
• Log P: 0.3197538
• Molar Refractivity: 35.9736 cm^3
• Polarizability: 14.858968 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.256

Product Information

• Purity: 95%