[3-(dimethylamino)propyl](6-methylhept-5-en-2-yl)amine

• ChemBase ID: 180582
• Molecular Formular: C13H28N2
• Molecular Mass: 212.37482
• Monoisotopic Mass: 212.22524891
• SMILES: C(=CCCC(NCCCN(C)C)C)(C)C
• Canonical SMILES: CN(CCCNC(CCC=C(C)C)C)C
• InChI: InChI=1S/C13H28N2/c1-12(2)8-6-9-13(3)14-10-7-11-15(4)5/h8,13-14H,6-7,9-11H2,1-5H3
• InChIKey: VKIPACQPVYNORN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(dimethylamino)propyl](6-methylhept-5-en-2-yl)amine
• IUPAC Traditional name: [3-(dimethylamino)propyl](6-methylhept-5-en-2-yl)amine

Database IDs

• PubChem SID: 164236492
• PubChem CID: 3824468

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.361815
• LogD (pH = 7.4): -1.3782872
• Log P: 2.3967767
• Molar Refractivity: 70.4709 cm^3
• Polarizability: 27.555918 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds