ethyl[6-(ethylamino)hexyl]amine

• ChemBase ID: 107225
• Molecular Formular: C10H24N2
• Molecular Mass: 172.31096
• Monoisotopic Mass: 172.19394878
• SMILES: CCNCCCCCCNCC
• Canonical SMILES: CCNCCCCCCNCC
• InChI: InChI=1S/C10H24N2/c1-3-11-9-7-5-6-8-10-12-4-2/h11-12H,3-10H2,1-2H3
• InChIKey: LDQWVRMGQLAWMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[6-(ethylamino)hexyl]amine
• IUPAC Traditional name: ethyl[6-(ethylamino)hexyl]amine
• Synonyms: 1,6-bis(ETHYLAMINO)HEXANE

Database IDs

• CAS Number: 13093-05-5
• PubChem SID: 162093750
• PubChem CID: 83132

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.8499074
• LogD (pH = 7.4): -4.240533
• Log P: 1.6227938
• Molar Refractivity: 55.627 cm^3
• Polarizability: 22.246355 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05202978

MP Biomedicals Rare Chemical collection