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Specification
The molecular formula is C12H16N2O.
The molecular weight is 204.27 g/mol.
The IUPAC name is N-[3-(aminomethyl)phenyl]cyclobutanecarboxamide.
The InChI is InChI=1S/C12H16N2O/c13-8-9-3-1-6-11(7-9)14-12(15)10-4-2-5-10/h1,3,6-7,10H,2,4-5,8,13H2,(H,14,15).
The InChIKey is MJJZKJAKJMAJNM-UHFFFAOYSA-N.
The canonical SMILES is C1CC(C1)C(=O)NC2=CC=CC(=C2)CN.
The XLogP3-AA value is 1.
N-[3-(aminomethyl)phenyl]cyclobutanecarboxamide has 2 hydrogen bond donor counts.
N-[3-(aminomethyl)phenyl]cyclobutanecarboxamide has 2 hydrogen bond acceptor counts.
N-[3-(aminomethyl)phenyl]cyclobutanecarboxamide has 3 rotatable bond counts.