2724682 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 7 6 6 6 6 6 6 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -1 8 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 2 3 8 4 5 9 6 7 10 11 12 13 14 15 16 17 18 19 20 21 22 1 1 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 3.732 4.5981 2.866 5.4641 4.5981 2 2.866 3.732 4.5981 2.866 5.1541 6.001 5.7741 5.2181 4.5981 3.9781 1.69 1.4631 2.31 3.486 2.866 2.246 -0.25 0.25 0.25 -0.25 1.25 -0.25 1.25 -1.25 -0.37 -0.37 -0.7869 -0.56 0.2869 1.25 1.87 1.25 0.2869 -0.56 -0.7869 1.25 1.87 1.25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 37.8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C8620000000000000000000000000000000000000000000000000000000000000000001C00000000000828C100040200020000000000000000000000000000000000000800000000000000000000000000008000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 lithium;diisopropylazanide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 lithium;di(propan-2-yl)azanide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 lithium;di(propan-2-yl)azanide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 lithium;di(propan-2-yl)azanide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 lithium;di(propan-2-yl)azanide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 lithium;diisopropylazanide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C6H14N.Li/c1-5(2)7-6(3)4;/h5-6H,1-4H3;/q-1;+1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ZCSHNCUQKCANBX-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 107.12862789 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C6H14LiN Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 107.1 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [Li+].CC(C)[N-]C(C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [Li+].CC(C)[N-]C(C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 107.12862789 8 0 0 0 0 0 0 0 2 -1