7-tert-butyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;2-propan-2-yl-2-azaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[4.5]decane;7-propan-2-yl-2,7-diazaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;2-propan-2-yl-2,8-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane;9-propan-2-yl-2,9-diazaspiro[5.5]undecane;2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane;2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane;7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane;2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane

C224H441N35O4 — CID 158671893

IUPAC7-tert-butyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;2-propan-2-yl-2-azaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[4.5]decane;7-propan-2-yl-2,7-diazaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;2-propan-2-yl-2,8-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane;9-propan-2-yl-2,9-diazaspiro[5.5]undecane;2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane;2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane;7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane;2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane
SMILESCC(C)(C)N1CCC2(CCNC2)CC1.CC(C)(C)N1CCCC2(CCNC2)C1.CC(C)N1CC2(CCCC2)C1.CC(C)N1CC2(CCCCC2)C1.CC(C)N1CC2(CCCNC2)C1.CC(C)N1CC2(CCNCC2)C1.CC(C)N1CC2(CCOC2)C1.CC(C)N1CC2(CCOCC2)C1.CC(C)N1CCC2(CC1)CNC2.CC(C)N1CCC2(CCCC2)CC1.CC(C)N1CCC2(CCCN2)C1.CC(C)N1CCC2(CCCNC2)C1.CC(C)N1CCC2(CCCNC2)CC1.CC(C)N1CCC2(CCCOC2)C1.CC(C)N1CCC2(CCN2)CC1.CC(C)N1CCC2(CCNC2)C1.CC(C)N1CCC2(CCNCC2)CC1.CC(C)N1CCC2(CCOC2)C1.CC(C)N1CCC2(CNC2)C1.CC(C)N1CCCC2(CCNC2)C1.CC(C)N1CCCC2(CCNCC2)C1
InChIInChI=1S/5C12H24N2.C12H23N.2C11H22N2.C11H21NO.C11H21N.6C10H20N2.2C10H19NO.C10H19N.C9H18N2.C9H17NO/c1-11(2,3)14-8-5-12(6-9-14)4-7-13-10-12;1-11(2)14-9-5-12(6-10-14)3-7-13-8-4-12;1-11(2,3)14-8-4-5-12(10-14)6-7-13-9-12;1-11(2)14-9-3-4-12(10-14)5-7-13-8-6-12;1-11(2)14-8-5-12(6-9-14)4-3-7-13-10-12;1-11(2)13-9-7-12(8-10-13)5-3-4-6-12;1-10(2)13-7-3-4-11(9-13)5-6-12-8-11;1-10(2)13-7-5-11(9-13)4-3-6-12-8-11;1-10(2)12-6-5-11(8-12)4-3-7-13-9-11;1-10(2)12-8-11(9-12)6-4-3-5-7-11;1-9(2)12-7-4-10(5-8-12)3-6-11-10;1-9(2)12-5-3-10(4-6-12)7-11-8-10;1-9(2)12-6-4-10(8-12)3-5-11-7-10;1-9(2)12-7-10(8-12)3-5-11-6-4-10;1-9(2)12-7-5-10(8-12)4-3-6-11-10;1-9(2)12-7-10(8-12)4-3-5-11-6-10;1-9(2)11-7-10(8-11)3-5-12-6-4-10;1-9(2)11-5-3-10(7-11)4-6-12-8-10;1-9(2)11-7-10(8-11)5-3-4-6-10;1-8(2)11-4-3-9(7-11)5-10-6-9;1-8(2)10-5-9(6-10)3-4-11-7-9/h13H,4-10H2,1-3H3;11,13H,3-10H2,1-2H3;13H,4-10H2,1-3H3;2*11,13H,3-10H2,1-2H3;11H,3-10H2,1-2H3;2*10,12H,3-9H2,1-2H3;10H,3-9H2,1-2H3;10H,3-9H2,1-2H3;6*9,11H,3-8H2,1-2H3;2*9H,3-8H2,1-2H3;9H,3-8H2,1-2H3;8,10H,3-7H2,1-2H3;8H,3-7H2,1-2H3
InChIKeyIEAXYHNXYKMJDL-UHFFFAOYSA-N
MW3689.23 g/mol
LogP33.71
Rot. Bonds19

About 7-tert-butyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;2-propan-2-yl-2-azaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[4.5]decane;7-propan-2-yl-2,7-diazaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;2-propan-2-yl-2,8-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane;9-propan-2-yl-2,9-diazaspiro[5.5]undecane;2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane;2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane;7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane;2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane

7-tert-butyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;2-propan-2-yl-2-azaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[4.5]decane;7-propan-2-yl-2,7-diazaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;2-propan-2-yl-2,8-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane;9-propan-2-yl-2,9-diazaspiro[5.5]undecane;2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane;2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane;7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane;2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane (PubChem CID 158671893) has the molecular formula C224H441N35O4 and a molecular weight of 3689.23 g/mol. Its IUPAC name is 7-tert-butyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;2-propan-2-yl-2-azaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[4.5]decane;7-propan-2-yl-2,7-diazaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;2-propan-2-yl-2,8-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane;9-propan-2-yl-2,9-diazaspiro[5.5]undecane;2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane;2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane;7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane;2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-tert-butyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;2-propan-2-yl-2-azaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[4.5]decane;7-propan-2-yl-2,7-diazaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;2-propan-2-yl-2,8-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane;9-propan-2-yl-2,9-diazaspiro[5.5]undecane;2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane;2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane;7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane;2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane
PubChem CID158671893
Molecular FormulaC224H441N35O4
Molecular Weight3689.23 g/mol
Exact Mass3686.54
IUPAC Name7-tert-butyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;2-propan-2-yl-2-azaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[4.5]decane;7-propan-2-yl-2,7-diazaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;2-propan-2-yl-2,8-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane;9-propan-2-yl-2,9-diazaspiro[5.5]undecane;2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane;2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane;7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane;2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane
SMILESCC(C)(C)N1CCC2(CCNC2)CC1.CC(C)(C)N1CCCC2(CCNC2)C1.CC(C)N1CC2(CCCC2)C1.CC(C)N1CC2(CCCCC2)C1.CC(C)N1CC2(CCCNC2)C1.CC(C)N1CC2(CCNCC2)C1.CC(C)N1CC2(CCOC2)C1.CC(C)N1CC2(CCOCC2)C1.CC(C)N1CCC2(CC1)CNC2.CC(C)N1CCC2(CCCC2)CC1.CC(C)N1CCC2(CCCN2)C1.CC(C)N1CCC2(CCCNC2)C1.CC(C)N1CCC2(CCCNC2)CC1.CC(C)N1CCC2(CCCOC2)C1.CC(C)N1CCC2(CCN2)CC1.CC(C)N1CCC2(CCNC2)C1.CC(C)N1CCC2(CCNCC2)CC1.CC(C)N1CCC2(CCOC2)C1.CC(C)N1CCC2(CNC2)C1.CC(C)N1CCCC2(CCNC2)C1.CC(C)N1CCCC2(CCNCC2)C1
InChIInChI=1S/5C12H24N2.C12H23N.2C11H22N2.C11H21NO.C11H21N.6C10H20N2.2C10H19NO.C10H19N.C9H18N2.C9H17NO/c1-11(2,3)14-8-5-12(6-9-14)4-7-13-10-12;1-11(2)14-9-5-12(6-10-14)3-7-13-8-4-12;1-11(2,3)14-8-4-5-12(10-14)6-7-13-9-12;1-11(2)14-9-3-4-12(10-14)5-7-13-8-6-12;1-11(2)14-8-5-12(6-9-14)4-3-7-13-10-12;1-11(2)13-9-7-12(8-10-13)5-3-4-6-12;1-10(2)13-7-3-4-11(9-13)5-6-12-8-11;1-10(2)13-7-5-11(9-13)4-3-6-12-8-11;1-10(2)12-6-5-11(8-12)4-3-7-13-9-11;1-10(2)12-8-11(9-12)6-4-3-5-7-11;1-9(2)12-7-4-10(5-8-12)3-6-11-10;1-9(2)12-5-3-10(4-6-12)7-11-8-10;1-9(2)12-6-4-10(8-12)3-5-11-7-10;1-9(2)12-7-10(8-12)3-5-11-6-4-10;1-9(2)12-7-5-10(8-12)4-3-6-11-10;1-9(2)12-7-10(8-12)4-3-5-11-6-10;1-9(2)11-7-10(8-11)3-5-12-6-4-10;1-9(2)11-5-3-10(7-11)4-6-12-8-10;1-9(2)11-7-10(8-11)5-3-4-6-10;1-8(2)11-4-3-9(7-11)5-10-6-9;1-8(2)10-5-9(6-10)3-4-11-7-9/h13H,4-10H2,1-3H3;11,13H,3-10H2,1-2H3;13H,4-10H2,1-3H3;2*11,13H,3-10H2,1-2H3;11H,3-10H2,1-2H3;2*10,12H,3-9H2,1-2H3;10H,3-9H2,1-2H3;10H,3-9H2,1-2H3;6*9,11H,3-8H2,1-2H3;2*9H,3-8H2,1-2H3;9H,3-8H2,1-2H3;8,10H,3-7H2,1-2H3;8H,3-7H2,1-2H3
InChIKeyIEAXYHNXYKMJDL-UHFFFAOYSA-N
XLogP33.71
TPSA273.38 Ų
H-Bond Donors14
H-Bond Acceptors39
Rotatable Bonds19
Heavy Atoms263
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003689.23
LogP ≤ 533.71
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1039

Analyze 7-tert-butyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;2-propan-2-yl-2-azaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[4.5]decane;7-propan-2-yl-2,7-diazaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;2-propan-2-yl-2,8-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane;9-propan-2-yl-2,9-diazaspiro[5.5]undecane;2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane;2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane;7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane;2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-Methyl-7-azaspiro[4.5]decane;8-methyl-8-azaspiro[4.5]decane;2-methyl-2,8-diazaspiro[4.5]decane;8-methyl-2,8-diazaspiro[4.5]decane;2-methyl-2,7-diazaspiro[3.5]nonane;2-methyl-2,7-diazaspiro[4.4]nonane;7-methyl-2,7-diazaspiro[3.5]nonane;7-methyl-4,7-diazaspiro[2.5]octane;3-methyl-3,9-diazaspiro[5.5]undecane;9-methyl-2-oxa-9-azaspiro[5.5]undecane
CID 157132801
6-Methyl-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;5-methyl-2-propan-2-yl-2,5-diazaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;8-methyl-2-propan-2-yl-2,8-diazaspiro[3.5]nonane;1-methyl-7-propan-2-yl-1,7-diazaspiro[3.4]octane;5-methyl-2-propan-2-yl-2,5-diazaspiro[3.4]octane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.4]octane;10-methyl-2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane;3-methyl-7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane;4-methyl-7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane;5-methyl-2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane;6-methyl-2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane;7-methyl-2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane;8-methyl-2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane
CID 157158278
7-Tert-butyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[4.5]decane;7-propan-2-yl-2,7-diazaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane;9-propan-2-yl-2,9-diazaspiro[5.5]undecane;2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane;2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane;7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane;2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane
CID 158176791
2-Azaspiro[4.5]decane;1-azaspiro[4.4]nonane;2-azaspiro[4.4]nonane;6-azaspiro[3.5]nonane;7-azaspiro[3.5]nonane;6-azaspiro[3.4]octane;2,6-diazaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);2,9-diazaspiro[4.5]decane;1,7-diazaspiro[3.5]nonane;1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;ethane;6-oxa-2-azaspiro[4.5]decane;7-oxa-2-azaspiro[4.5]decane;8-oxa-2-azaspiro[4.5]decane;1-oxa-7-azaspiro[3.5]nonane;1-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[3.5]nonane;2-oxa-7-azaspiro[4.4]nonane;7-oxa-1-azaspiro[4.4]nonane;1-oxa-7-azaspiro[3.4]octane;bis(2-oxa-7-azaspiro[3.4]octane);6-oxa-2,9-diazaspiro[4.5]decane;9-oxa-2,6-diazaspiro[4.5]decane
CID 158613664
8-Propan-2-yl-8-azaspiro[5.6]dodecane;9-propan-2-yl-9-azaspiro[5.6]dodecane;bis(8-propan-2-yl-2,8-diazaspiro[4.5]decane);2-propan-2-yl-2,7-diazaspiro[4.4]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane;bis(7-propan-2-yl-2,7-diazaspiro[3.5]nonane);3-propan-2-yl-3,9-diazaspiro[5.5]undecane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;bis(2-propan-2-yl-9-oxa-2-azaspiro[5.5]undecane)
CID 158706590
6-Methyl-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;1-methyl-7-propan-2-yl-1,7-diazaspiro[4.4]nonane;5-methyl-2-propan-2-yl-2,5-diazaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane;8-methyl-2-propan-2-yl-2,8-diazaspiro[3.5]nonane;1-methyl-7-propan-2-yl-1,7-diazaspiro[3.4]octane;5-methyl-2-propan-2-yl-2,5-diazaspiro[3.4]octane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.4]octane;10-methyl-2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane;3-methyl-7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane;4-methyl-7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane;5-methyl-2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane;6-methyl-2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane;7-methyl-2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane;8-methyl-2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane
CID 158772359
2-Propan-2-yl-2-azaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;2-propan-2-yl-2-azaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[4.5]decane;bis(7-propan-2-yl-2,7-diazaspiro[4.5]decane);8-propan-2-yl-2,8-diazaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;2-propan-2-yl-2,8-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane;9-propan-2-yl-2,9-diazaspiro[5.5]undecane;2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane;2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane;7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane;2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane
CID 158787830
8,9-Dimethyl-6,9-diazaspiro[4.5]decane;2-methyl-2,8-diazaspiro[4.5]decane;2-methyl-2,9-diazaspiro[4.5]decane;6-methyl-6,9-diazaspiro[4.5]decane;7-methyl-2,7-diazaspiro[4.5]decane;8-methyl-2,8-diazaspiro[4.5]decane;2-methyl-2,7-diazaspiro[3.5]nonane;2-methyl-2,7-diazaspiro[4.4]nonane;5-methyl-5,8-diazaspiro[3.5]nonane;7-methyl-2,7-diazaspiro[3.5]nonane;4-methyl-4,7-diazaspiro[2.5]octane;3-methyl-3,9-diazaspiro[5.5]undecane;2-methyl-6-oxa-2-azaspiro[4.5]decane;4-methyl-1-oxa-4-azaspiro[5.5]undecane;8-methyl-1-oxa-8-azaspiro[5.5]undecane;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;6,8,8-trimethyl-6,9-diazaspiro[4.5]decane;8,8,9-trimethyl-6,9-diazaspiro[4.5]decane
CID 159211451
7-Tert-butyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;2-propan-2-yl-2-azaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[4.5]decane;7-propan-2-yl-2,7-diazaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;2-propan-2-yl-2,8-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane;9-propan-2-yl-2,9-diazaspiro[5.5]undecane;2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane;2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane;7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane;2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane
CID 159785422
7-Methyl-7-azaspiro[4.5]decane;2-methyl-2,8-diazaspiro[4.5]decane;8-methyl-1,8-diazaspiro[4.5]decane;8-methyl-2,8-diazaspiro[4.5]decane;2-methyl-2,7-diazaspiro[3.5]nonane;2-methyl-2,7-diazaspiro[4.4]nonane;7-methyl-2,7-diazaspiro[3.5]nonane;7-methyl-4,7-diazaspiro[2.5]octane;3-methyl-3,9-diazaspiro[5.5]undecane;9-methyl-2-oxa-9-azaspiro[5.5]undecane
CID 159864711
7-Tert-butyl-2-oxa-7-azaspiro[4.4]nonane;2-propan-2-yl-2-azaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.3]hexane;2-propan-2-yl-2-azaspiro[3.5]nonane;2-propan-2-yl-2-azaspiro[4.4]nonane;7-propan-2-yl-7-azaspiro[3.5]nonane;2-propan-2-yl-2-azaspiro[3.4]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane;3-propan-2-yl-3-azaspiro[5.5]undecane;2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane;2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane
CID 160053030
2-Propan-2-yl-2-azaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.3]hexane;2-propan-2-yl-2-azaspiro[3.5]nonane;2-propan-2-yl-2-azaspiro[4.4]nonane;7-propan-2-yl-7-azaspiro[3.5]nonane;2-propan-2-yl-2-azaspiro[3.4]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane;3-propan-2-yl-3-azaspiro[5.5]undecane;2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane;7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane;2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane
CID 160619915

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;2-propan-2-yl-2-azaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[4.5]decane;7-propan-2-yl-2,7-diazaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;2-propan-2-yl-2,8-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane;9-propan-2-yl-2,9-diazaspiro[5.5]undecane;2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane;2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane;7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane;2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 7-tert-butyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;2-propan-2-yl-2-azaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[4.5]decane;7-propan-2-yl-2,7-diazaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;2-propan-2-yl-2,8-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane;9-propan-2-yl-2,9-diazaspiro[5.5]undecane;2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane;2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane;7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane;2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane (CID 158671893) is 7-tert-butyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;2-propan-2-yl-2-azaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[4.5]decane;7-propan-2-yl-2,7-diazaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;2-propan-2-yl-2,8-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane;9-propan-2-yl-2,9-diazaspiro[5.5]undecane;2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane;2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane;7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane;2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 7-tert-butyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;2-propan-2-yl-2-azaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[4.5]decane;7-propan-2-yl-2,7-diazaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;2-propan-2-yl-2,8-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane;9-propan-2-yl-2,9-diazaspiro[5.5]undecane;2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane;2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane;7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane;2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 7-tert-butyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;2-propan-2-yl-2-azaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[4.5]decane;7-propan-2-yl-2,7-diazaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;2-propan-2-yl-2,8-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane;9-propan-2-yl-2,9-diazaspiro[5.5]undecane;2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane;2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane;7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane;2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane is CC(C)(C)N1CCC2(CCNC2)CC1.CC(C)(C)N1CCCC2(CCNC2)C1.CC(C)N1CC2(CCCC2)C1.CC(C)N1CC2(CCCCC2)C1.CC(C)N1CC2(CCCNC2)C1.CC(C)N1CC2(CCNCC2)C1.CC(C)N1CC2(CCOC2)C1.CC(C)N1CC2(CCOCC2)C1.CC(C)N1CCC2(CC1)CNC2.CC(C)N1CCC2(CCCC2)CC1.CC(C)N1CCC2(CCCN2)C1.CC(C)N1CCC2(CCCNC2)C1.CC(C)N1CCC2(CCCNC2)CC1.CC(C)N1CCC2(CCCOC2)C1.CC(C)N1CCC2(CCN2)CC1.CC(C)N1CCC2(CCNC2)C1.CC(C)N1CCC2(CCNCC2)CC1.CC(C)N1CCC2(CCOC2)C1.CC(C)N1CCC2(CNC2)C1.CC(C)N1CCCC2(CCNC2)C1.CC(C)N1CCCC2(CCNCC2)C1.
What is the InChIKey of 7-tert-butyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;2-propan-2-yl-2-azaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[4.5]decane;7-propan-2-yl-2,7-diazaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;2-propan-2-yl-2,8-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane;9-propan-2-yl-2,9-diazaspiro[5.5]undecane;2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane;2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane;7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane;2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane?
The InChIKey is IEAXYHNXYKMJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/5C12H24N2.C12H23N.2C11H22N2.C11H21NO.C11H21N.6C10H20N2.2C10H19NO.C10H19N.C9H18N2.C9H17NO/c1-11(2,3)14-8-5-12(6-9-14)4-7-13-10-12;1-11(2)14-9-5-12(6-10-14)3-7-13-8-4-12;1-11(2,3)14-8-4-5-12(10-14)6-7-13-9-12;1-11(2)14-9-3-4-12(10-14)5-7-13-8-6-12;1-11(2)14-8-5-12(6-9-14)4-3-7-13-10-12;1-11(2)13-9-7-12(8-10-13)5-3-4-6-12;1-10(2)13-7-3-4-11(9-13)5-6-12-8-11;1-10(2)13-7-5-11(9-13)4-3-6-12-8-11;1-10(2)12-6-5-11(8-12)4-3-7-13-9-11;1-10(2)12-8-11(9-12)6-4-3-5-7-11;1-9(2)12-7-4-10(5-8-12)3-6-11-10;1-9(2)12-5-3-10(4-6-12)7-11-8-10;1-9(2)12-6-4-10(8-12)3-5-11-7-10;1-9(2)12-7-10(8-12)3-5-11-6-4-10;1-9(2)12-7-5-10(8-12)4-3-6-11-10;1-9(2)12-7-10(8-12)4-3-5-11-6-10;1-9(2)11-7-10(8-11)3-5-12-6-4-10;1-9(2)11-5-3-10(7-11)4-6-12-8-10;1-9(2)11-7-10(8-11)5-3-4-6-10;1-8(2)11-4-3-9(7-11)5-10-6-9;1-8(2)10-5-9(6-10)3-4-11-7-9/h13H,4-10H2,1-3H3;11,13H,3-10H2,1-2H3;13H,4-10H2,1-3H3;2*11,13H,3-10H2,1-2H3;11H,3-10H2,1-2H3;2*10,12H,3-9H2,1-2H3;10H,3-9H2,1-2H3;10H,3-9H2,1-2H3;6*9,11H,3-8H2,1-2H3;2*9H,3-8H2,1-2H3;9H,3-8H2,1-2H3;8,10H,3-7H2,1-2H3;8H,3-7H2,1-2H3.
What are the key properties of 7-tert-butyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;2-propan-2-yl-2-azaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[4.5]decane;7-propan-2-yl-2,7-diazaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;2-propan-2-yl-2,8-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane;9-propan-2-yl-2,9-diazaspiro[5.5]undecane;2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane;2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane;7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane;2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane?
7-tert-butyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;2-propan-2-yl-2-azaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[4.5]decane;7-propan-2-yl-2,7-diazaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;2-propan-2-yl-2,8-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane;9-propan-2-yl-2,9-diazaspiro[5.5]undecane;2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane;2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane;7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane;2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane has a molecular weight of 3689.23 g/mol, XLogP of 33.71, 19 rotatable bonds, 14 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;2-propan-2-yl-2-azaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[4.5]decane;7-propan-2-yl-2,7-diazaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;2-propan-2-yl-2,8-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane;9-propan-2-yl-2,9-diazaspiro[5.5]undecane;2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane;2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane;7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane;2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 158671893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).