2-(aminomethyl)-3-butyl-2-ethyl-heptane-1,3-diol

Systemtic Name: 2-(aminomethyl)-3-butyl-2-ethyl-heptane-1,3-diol Openeye Name: 2-(aminomethyl)-3-butyl-2-ethyl-heptane-1,3-diol CAS Name: 2-(aminomethyl)-3-butyl-2-ethylheptane-1,3-diol IUPAC Name: 2-(aminomethyl)-3-butyl-2-ethylheptane-1,3-diol Traditional Name: 2-(aminomethyl)-3-butyl-2-ethyl-heptane-1,3-diol Formula: C14H31NO2 MolecularWeight: 245.40144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(C(CC)(CN)CO)O

Isomeric SMILES

CCCCC(CCCC)(C(CC)(CN)CO)O

InChI

InChI=1S/C14H31NO2/c1-4-7-9-14(17,10-8-5-2)13(6-3,11-15)12-16/h16-17H,4-12,15H2,1-3H3