2-(aminomethyl)-3-methylcyclopentan-1-amine

• ChemBase ID: 286525
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: C1(C(CCC1C)N)CN
• Canonical SMILES: NCC1C(C)CCC1N
• InChI: InChI=1S/C7H16N2/c1-5-2-3-7(9)6(5)4-8/h5-7H,2-4,8-9H2,1H3
• InChIKey: DCIDJZAMMCGYCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(aminomethyl)-3-methylcyclopentan-1-amine
• IUPAC Traditional name: 2-(aminomethyl)-3-methylcyclopentan-1-amine
• Synonyms: 2-(aminomethyl)-3-methylcyclopentan-1-amine

Database IDs

• MDL Number: MFCD21602827
• PubChem SID: 180672056
• PubChem CID: 73994883

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.008573
• LogD (pH = 7.4): -4.3795967
• Log P: -0.12076876
• Molar Refractivity: 38.8396 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.041

Product Information

• Purity: 95%