diethyl(methyl)[4-({[(propan-2-yl)imino]methylidene}amino)pentyl]azanium iodide

• ChemBase ID: 258502
• Molecular Formular: C14H30IN3
• Molecular Mass: 367.31257
• Monoisotopic Mass: 367.14844598
• SMILES: C(=NC(C)C)=NC(CCC[N+](CC)(CC)C)C.[I-]
• Canonical SMILES: CC[N+](CCCC(N=C=NC(C)C)C)(CC)C.[I-]
• InChI: InChI=1S/C14H30N3.HI/c1-7-17(6,8-2)11-9-10-14(5)16-12-15-13(3)4;/h13-14H,7-11H2,1-6H3;1H/q+1;/p-1
• InChIKey: RXCFBQSRNHMQTJ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl(methyl)[4-({[(propan-2-yl)imino]methylidene}amino)pentyl]azanium iodide
• IUPAC Traditional name: diethyl(4-{[(isopropylimino)methylidene]amino}pentyl)methylazanium iodide
• Synonyms: N,N-diethyl-4-{[(isopropylimino)methylene]amino}-N-methylpentan-1-aminium iodide

Database IDs

• MDL Number: MFCD11857823
• PubChem SID: 164314412
• PubChem CID: 43810778

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.4702066
• LogD (pH = 7.4): -1.469092
• Log P: -1.4690777
• Molar Refractivity: 86.8181 cm^3
• Polarizability: 29.137388 Å^3
• Polar Surface Area: 24.72 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.371

Product Information

• Purity: 95%