(3-{bis[(4-methylcyclohex-3-en-1-yl)methyl]amino}propyl)dimethylamine

• ChemBase ID: 180873
• Molecular Formular: C21H38N2
• Molecular Mass: 318.53982
• Monoisotopic Mass: 318.30349923
• SMILES: C1=C(CCC(CN(CC2CC=C(CC2)C)CCCN(C)C)C1)C
• Canonical SMILES: CN(CCCN(CC1CCC(=CC1)C)CC1CCC(=CC1)C)C
• InChI: InChI=1S/C21H38N2/c1-18-6-10-20(11-7-18)16-23(15-5-14-22(3)4)17-21-12-8-19(2)9-13-21/h6,8,20-21H,5,7,9-17H2,1-4H3
• InChIKey: FPDWDQUBDAOXGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-{bis[(4-methylcyclohex-3-en-1-yl)methyl]amino}propyl)dimethylamine
• IUPAC Traditional name: (3-{bis[(4-methylcyclohex-3-en-1-yl)methyl]amino}propyl)dimethylamine

Database IDs

• PubChem SID: 164236783
• PubChem CID: 2866409

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.6263324
• LogD (pH = 7.4): 0.219682
• Log P: 4.2602196
• Molar Refractivity: 105.1598 cm^3
• Polarizability: 40.612812 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Stereoisomers
• Classification: Rare Derivatives of Natural Compounds