(1-amino-4-methylpentan-2-yl)diethylamine

• ChemBase ID: 254077
• Molecular Formular: C10H24N2
• Molecular Mass: 172.31096
• Monoisotopic Mass: 172.19394878
• SMILES: C(N(CC)CC)(CC(C)C)CN
• Canonical SMILES: NCC(N(CC)CC)CC(C)C
• InChI: InChI=1S/C10H24N2/c1-5-12(6-2)10(8-11)7-9(3)4/h9-10H,5-8,11H2,1-4H3
• InChIKey: VFIZLVLYYTWDDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-amino-4-methylpentan-2-yl)diethylamine
• IUPAC Traditional name: (1-amino-4-methylpentan-2-yl)diethylamine
• Synonyms: N-[1-(aminomethyl)-3-methylbutyl]-N,N-diethylamine

Database IDs

• MDL Number: MFCD09413278
• PubChem SID: 164309987
• PubChem CID: 42933681

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1342247
• LogD (pH = 7.4): -0.9901569
• Log P: 1.7774868
• Molar Refractivity: 55.5275 cm^3
• Polarizability: 22.246355 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.501

Product Information

• Purity: 95%