3-[cyclohexyl(methyl)amino]propanehydrazide

• ChemBase ID: 24382
• Molecular Formular: C10H21N3O
• Molecular Mass: 199.29324
• Monoisotopic Mass: 199.16846231
• SMILES: C(=O)(CCN(C1CCCCC1)C)NN
• Canonical SMILES: NNC(=O)CCN(C1CCCCC1)C
• InChI: InChI=1S/C10H21N3O/c1-13(8-7-10(14)12-11)9-5-3-2-4-6-9/h9H,2-8,11H2,1H3,(H,12,14)
• InChIKey: YKIBQYWKSVLFHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[cyclohexyl(methyl)amino]propanehydrazide
• IUPAC Traditional name: 3-[cyclohexyl(methyl)amino]propanehydrazide
• Synonyms: 3-[Cyclohexyl(methyl)amino]propanohydrazide

Database IDs

• MDL Number: MFCD10687296
• PubChem SID: 160987689
• PubChem CID: 28307069

CALCULATED PROPERTIES

• Acid pKa: 13.394884
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.875824
• LogD (pH = 7.4): -2.115336
• Log P: 0.6010177
• Molar Refractivity: 58.0926 cm^3
• Polarizability: 22.580238 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false