pentanoic acid; 3,4,5,6-tetrahydro-2H-azepin-7-amine

Systemtic Name: pentanoic acid; 3,4,5,6-tetrahydro-2H-azepin-7-amine Openeye Name: pentanoic acid; 3,4,5,6-tetrahydro-2H-azepin-7-amine CAS Name: pentanoic acid; 3,4,5,6-tetrahydro-2H-azepin-7-amine IUPAC Name: pentanoic acid; 3,4,5,6-tetrahydro-2H-azepin-7-amine Traditional Name: 3,4,5,6-tetrahydro-2H-azepin-7-ylamine; valeric acid Formula: C11H22N2O2 MolecularWeight: 214.30458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)O.C1CCC(=NCC1)N

Isomeric SMILES

CCCCC(=O)O.C1CCC(=NCC1)N

InChI

InChI=1S/C6H12N2.C5H10O2/c7-6-4-2-1-3-5-8-6;1-2-3-4-5(6)7/h1-5H2,(H2,7,8);2-4H2,1H3,(H,6,7)