(3-methylbutyl)(6-methylheptan-2-yl)amine

• ChemBase ID: 283886
• Molecular Formular: C13H29N
• Molecular Mass: 199.37606
• Monoisotopic Mass: 199.22999993
• SMILES: N(CCC(C)C)C(CCCC(C)C)C
• Canonical SMILES: CC(NCCC(C)C)CCCC(C)C
• InChI: InChI=1S/C13H29N/c1-11(2)7-6-8-13(5)14-10-9-12(3)4/h11-14H,6-10H2,1-5H3
• InChIKey: RRWTWWBIHKIYTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methylbutyl)(6-methylheptan-2-yl)amine
• IUPAC Traditional name: octamylamine
• Synonyms: (3-methylbutyl)(6-methylheptan-2-yl)amine

Database IDs

• MDL Number: MFCD00865245
• PubChem SID: 180669417
• PubChem CID: 10406

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.096033
• LogD (pH = 7.4): 1.3024882
• Log P: 4.33467
• Molar Refractivity: 65.1586 cm^3
• Polarizability: 26.27136 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.821

Product Information

• Purity: 95%