[3-(dimethylamino)propyl](thiophen-2-ylmethyl)amine dihydrochloride

• ChemBase ID: 234678
• Molecular Formular: C10H20Cl2N2S
• Molecular Mass: 271.2502
• Monoisotopic Mass: 270.07242501
• SMILES: s1c(ccc1)CNCCCN(C)C.Cl.Cl
• Canonical SMILES: CN(CCCNCc1cccs1)C.Cl.Cl
• InChI: InChI=1S/C10H18N2S.2ClH/c1-12(2)7-4-6-11-9-10-5-3-8-13-10;;/h3,5,8,11H,4,6-7,9H2,1-2H3;2*1H
• InChIKey: RGDGACOQFAATKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(dimethylamino)propyl](thiophen-2-ylmethyl)amine dihydrochloride
• IUPAC Traditional name: [3-(dimethylamino)propyl](thiophen-2-ylmethyl)amine dihydrochloride
• Synonyms: N,N-dimethyl-N'-(thien-2-ylmethyl)propane-1,3-diamine dihydrochloride

Database IDs

• MDL Number: MFCD07108710
• PubChem SID: 164290588
• PubChem CID: 16245046

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.6671019
• LogD (pH = 7.4): -1.1869226
• Log P: 1.5230802
• Molar Refractivity: 59.0804 cm^3
• Polarizability: 23.083008 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.821

Product Information

• Purity: 95%
• Salt Data: 2HCl