[1-(propan-2-yl)pyrrolidin-2-yl]methanamine

• ChemBase ID: 72260
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N1(C(CN)CCC1)C(C)C
• Canonical SMILES: NCC1CCCN1C(C)C
• InChI: InChI=1S/C8H18N2/c1-7(2)10-5-3-4-8(10)6-9/h7-8H,3-6,9H2,1-2H3
• InChIKey: GDRVIRMOAGAAGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(propan-2-yl)pyrrolidin-2-yl]methanamine
• IUPAC Traditional name: (1-isopropylpyrrolidin-2-yl)methanamine
• Synonyms: [(1-Isopropylpyrrolidin-2-yl)methyl]amine; 1-(1-isopropyl-2-pyrrolidinyl)methanamine

Database IDs

• CAS Number: 26116-15-4
• MDL Number: MFCD04114072
• PubChem SID: 162037344
• PubChem CID: 2762717

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.274691
• LogD (pH = 7.4): -2.2664971
• Log P: 0.6321332
• Molar Refractivity: 44.3165 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT