2-methylnonan-1-amine

• ChemBase ID: 261701
• Molecular Formular: C10H23N
• Molecular Mass: 157.29632
• Monoisotopic Mass: 157.18304974
• SMILES: NCC(CCCCCCC)C
• Canonical SMILES: CCCCCCCC(CN)C
• InChI: InChI=1S/C10H23N/c1-3-4-5-6-7-8-10(2)9-11/h10H,3-9,11H2,1-2H3
• InChIKey: YUHZZTIELHYAAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylnonan-1-amine
• IUPAC Traditional name: 2-methylnonan-1-amine
• Synonyms: 2-methylnonan-1-amine

Database IDs

• MDL Number: MFCD11641543
• PubChem SID: 164317611
• PubChem CID: 21396878

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.2618038
• LogD (pH = 7.4): 0.6678367
• Log P: 3.2862563
• Molar Refractivity: 51.269 cm^3
• Polarizability: 20.73024 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.967

Product Information

• Purity: 95%