1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine

• ChemBase ID: 277283
• Molecular Formular: C10H19N
• Molecular Mass: 153.26456
• Monoisotopic Mass: 153.15174961
• SMILES: C12(C(C(C(C1)CC2)(C)C)N)C
• Canonical SMILES: NC1C2(C)CCC(C1(C)C)C2
• InChI: InChI=1S/C10H19N/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8H,4-6,11H2,1-3H3
• InChIKey: CBYXIIFIKSBHEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
• IUPAC Traditional name: 1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
• Synonyms: 1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine

Database IDs

• MDL Number: MFCD00885968
• PubChem SID: 164333193
• PubChem CID: 418445

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9790412
• LogD (pH = 7.4): -0.4040175
• Log P: 2.0384836
• Molar Refractivity: 46.8178 cm^3
• Polarizability: 19.244478 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.199

Product Information

• Purity: 95%