N-cyclohexyloxan-4-amine hydrochloride

• ChemBase ID: 55285
• Molecular Formular: C11H22ClNO
• Molecular Mass: 219.75148
• Monoisotopic Mass: 219.13899201
• SMILES: N(C1CCOCC1)C1CCCCC1.Cl
• Canonical SMILES: C1CCC(CC1)NC1CCOCC1.Cl
• InChI: InChI=1S/C11H21NO.ClH/c1-2-4-10(5-3-1)12-11-6-8-13-9-7-11;/h10-12H,1-9H2;1H
• InChIKey: XGMMVCADMNFWKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyloxan-4-amine hydrochloride
• IUPAC Traditional name: N-cyclohexyloxan-4-amine hydrochloride
• Synonyms: N-Cyclohexyltetrahydro-2H-pyran-4-amine hydrochloride

Database IDs

• MDL Number: MFCD11035936
• PubChem SID: 162060048
• PubChem CID: 53408549

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6707941
• LogD (pH = 7.4): -1.4517272
• Log P: 1.5675782
• Molar Refractivity: 54.1831 cm^3
• Polarizability: 21.75466 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false