1,4-dimethyl-1,4-diazepan-6-amine

• ChemBase ID: 281330
• Molecular Formular: C7H17N3
• Molecular Mass: 143.22998
• Monoisotopic Mass: 143.14224756
• SMILES: N1(CC(CN(CC1)C)N)C
• Canonical SMILES: CN1CCN(CC(C1)N)C
• InChI: InChI=1S/C7H17N3/c1-9-3-4-10(2)6-7(8)5-9/h7H,3-6,8H2,1-2H3
• InChIKey: RWICYHQFRMCCEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dimethyl-1,4-diazepan-6-amine
• IUPAC Traditional name: 1,4-dimethyl-1,4-diazepan-6-amine
• Synonyms: 1,4-dimethyl-1,4-diazepan-6-amine

Database IDs

• MDL Number: MFCD19203363
• PubChem SID: 180666861
• PubChem CID: 14999039

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.193861
• LogD (pH = 7.4): -2.8753715
• Log P: -0.6999277
• Molar Refractivity: 43.6582 cm^3
• Polarizability: 17.48637 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.43

Product Information

• Purity: 95%