2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N-(cyclohexylmethyl)-N,2-dimethylpropan-2-amine;N-(cyclohexylmethyl)-2-methylpropan-2-amine;methane

C113H232N12 — CID 158727913

IUPAC2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N-(cyclohexylmethyl)-N,2-dimethylpropan-2-amine;N-(cyclohexylmethyl)-2-methylpropan-2-amine;methane
SMILESC.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CCC2(CCCC2)CC1.CC(C)(C)N1CCC2(CCCCC2)C1.CC(C)(C)NCC1CCCCC1.CC1CCN(C(C)(C)C)CC1.CCC1CCN(C(C)(C)C)CC1.CCCC1CCN(C(C)(C)C)CC1.CN(CC1CCCCC1)C(C)(C)C.CN1CC2CC1CN2C(C)(C)C.CNC1CCN(C(C)(C)C)CC1
InChIInChI=1S/2C13H25N.2C12H25N.2C11H23N.C10H20N2.C10H22N2.C10H19N.C10H21N.CH4/c1-12(2,3)14-10-8-13(9-11-14)6-4-5-7-13;1-12(2,3)14-10-9-13(11-14)7-5-4-6-8-13;1-12(2,3)13(4)10-11-8-6-5-7-9-11;1-5-6-11-7-9-13(10-8-11)12(2,3)4;1-11(2,3)12-9-10-7-5-4-6-8-10;1-5-10-6-8-12(9-7-10)11(2,3)4;1-10(2,3)12-7-8-5-9(12)6-11(8)4;1-10(2,3)12-7-5-9(11-4)6-8-12;1-10(2,3)11-7-8-4-5-9(11)6-8;1-9-5-7-11(8-6-9)10(2,3)4;/h2*4-11H2,1-3H3;2*11H,5-10H2,1-4H3;10,12H,4-9H2,1-3H3;10H,5-9H2,1-4H3;8-9H,5-7H2,1-4H3;9,11H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3;9H,5-8H2,1-4H3;1H4
InChIKeyIKSVYASMZIFFAI-UHFFFAOYSA-N
MW1759.18 g/mol
LogP27.40
Rot. Bonds8

About 2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N-(cyclohexylmethyl)-N,2-dimethylpropan-2-amine;N-(cyclohexylmethyl)-2-methylpropan-2-amine;methane

2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N-(cyclohexylmethyl)-N,2-dimethylpropan-2-amine;N-(cyclohexylmethyl)-2-methylpropan-2-amine;methane (PubChem CID 158727913) has the molecular formula C113H232N12 and a molecular weight of 1759.18 g/mol. Its IUPAC name is 2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N-(cyclohexylmethyl)-N,2-dimethylpropan-2-amine;N-(cyclohexylmethyl)-2-methylpropan-2-amine;methane.

Molecular Properties

Compound Name2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N-(cyclohexylmethyl)-N,2-dimethylpropan-2-amine;N-(cyclohexylmethyl)-2-methylpropan-2-amine;methane
PubChem CID158727913
Molecular FormulaC113H232N12
Molecular Weight1759.18 g/mol
Exact Mass1757.85
IUPAC Name2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N-(cyclohexylmethyl)-N,2-dimethylpropan-2-amine;N-(cyclohexylmethyl)-2-methylpropan-2-amine;methane
SMILESC.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CCC2(CCCC2)CC1.CC(C)(C)N1CCC2(CCCCC2)C1.CC(C)(C)NCC1CCCCC1.CC1CCN(C(C)(C)C)CC1.CCC1CCN(C(C)(C)C)CC1.CCCC1CCN(C(C)(C)C)CC1.CN(CC1CCCCC1)C(C)(C)C.CN1CC2CC1CN2C(C)(C)C.CNC1CCN(C(C)(C)C)CC1
InChIInChI=1S/2C13H25N.2C12H25N.2C11H23N.C10H20N2.C10H22N2.C10H19N.C10H21N.CH4/c1-12(2,3)14-10-8-13(9-11-14)6-4-5-7-13;1-12(2,3)14-10-9-13(11-14)7-5-4-6-8-13;1-12(2,3)13(4)10-11-8-6-5-7-9-11;1-5-6-11-7-9-13(10-8-11)12(2,3)4;1-11(2,3)12-9-10-7-5-4-6-8-10;1-5-10-6-8-12(9-7-10)11(2,3)4;1-10(2,3)12-7-8-5-9(12)6-11(8)4;1-10(2,3)12-7-5-9(11-4)6-8-12;1-10(2,3)11-7-8-4-5-9(11)6-8;1-9-5-7-11(8-6-9)10(2,3)4;/h2*4-11H2,1-3H3;2*11H,5-10H2,1-4H3;10,12H,4-9H2,1-3H3;10H,5-9H2,1-4H3;8-9H,5-7H2,1-4H3;9,11H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3;9H,5-8H2,1-4H3;1H4
InChIKeyIKSVYASMZIFFAI-UHFFFAOYSA-N
XLogP27.40
TPSA56.46 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001759.18
LogP ≤ 527.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N-(cyclohexylmethyl)-N,2-dimethylpropan-2-amine;N-(cyclohexylmethyl)-2-methylpropan-2-amine;methane with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butylpiperidin-4-amine;(1-tert-butylpiperidin-4-yl)methanamine;1-(1-tert-butylpiperidin-4-yl)-N-methylmethanamine;N,2-dimethyl-N-(piperidin-4-ylmethyl)propan-2-amine;2-methyl-N-(piperidin-4-ylmethyl)propan-2-amine
CID 157518255
8-tert-butyl-8-azaspiro[4.5]decane;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butylpiperidin-4-amine;1-tert-butyl-4-propylpiperidine;N,2-dimethyl-N-(piperidin-1-ylmethyl)propan-2-amine;2-methyl-N-(piperidin-1-ylmethyl)propan-2-amine
CID 157559876
8-Tert-butyl-2,8-diazaspiro[4.5]decane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;2,9-diazaspiro[4.5]decane;2,7-diazaspiro[4.4]nonane;octakis(2-methylpropane);2-propan-2-yl-2,8-diazaspiro[5.5]undecane;2-propan-2-yl-2,9-diazaspiro[5.5]undecane
CID 157824315
2-Azaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;2,9-diazaspiro[5.5]undecane;3,9-diazaspiro[5.5]undecane;heptakis(2,2-dimethylbutane);ethane
CID 159985914
2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N-(cyclohexylmethyl)-N,2-dimethylpropan-2-amine;N-(cyclohexylmethyl)-2-methylpropan-2-amine
CID 160226189
2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butylpiperidin-4-amine;1-tert-butyl-4-propylpiperidine;N-(cyclohexylmethyl)-N,2-dimethylpropan-2-amine;N-(cyclohexylmethyl)-2-methylpropan-2-amine
CID 160265015
8-tert-butyl-8-azaspiro[4.5]decane;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butylpiperidin-4-amine;1-tert-butyl-4-propylpiperidine;N-(cyclohexylmethyl)-N,2-dimethylpropan-2-amine;N-(cyclohexylmethyl)-2-methylpropan-2-amine
CID 160393986
2-tert-butyl-2-azabicyclo[2.2.1]heptane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N-(cyclohexylmethyl)-N,2-dimethylpropan-2-amine;N-(cyclohexylmethyl)-2-methylpropan-2-amine
CID 162057527
1-[(tert-butylamino)methyl]-N-methylpiperidin-4-amine;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N,2-dimethyl-N-(piperidin-1-ylmethyl)propan-2-amine;methane;2-methyl-N-(piperidin-1-ylmethyl)propan-2-amine
CID 162060390
1,8-Dimethyl-1,8-diazaspiro[5.5]undecane;1,3-dimethylpiperidin-3-amine;1-ethyl-8-methyl-1,8-diazaspiro[5.5]undecane;2-methyl-2,6-diazaspiro[4.5]decane;8-methyl-2,8-diazaspiro[4.5]decane;9-methyl-1,9-diazaspiro[4.5]decane;7-methyl-1,7-diazaspiro[4.4]nonane;8-methyl-1,8-diazaspiro[5.5]undecane;9-methyl-2,9-diazaspiro[5.5]undecane
CID 167575017
1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyloctane;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine
CID 167579458
1,8-Dimethyl-1,8-diazaspiro[5.5]undecane;1,3-dimethylpiperidin-3-amine;1-ethyl-8-methyl-1,8-diazaspiro[5.5]undecane;3-ethyl-1-methylpiperidine;2-methyl-2-azaspiro[4.4]nonane;2-methyl-2-azaspiro[5.5]undecane;2-methyl-2,6-diazaspiro[4.5]decane;2-methyl-2,8-diazaspiro[4.5]decane;7-methyl-2,7-diazaspiro[4.5]decane;8-methyl-2,8-diazaspiro[4.5]decane;9-methyl-1,9-diazaspiro[4.5]decane;6-methyl-2,6-diazaspiro[3.5]nonane;7-methyl-1,7-diazaspiro[4.4]nonane;8-methyl-1,8-diazaspiro[3.5]nonane;7-methyl-1,7-diazaspiro[3.4]octane;8-methyl-1,8-diazaspiro[5.5]undecane;9-methyl-2,9-diazaspiro[5.5]undecane
CID 167622062

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N-(cyclohexylmethyl)-N,2-dimethylpropan-2-amine;N-(cyclohexylmethyl)-2-methylpropan-2-amine;methane?
The IUPAC name of 2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N-(cyclohexylmethyl)-N,2-dimethylpropan-2-amine;N-(cyclohexylmethyl)-2-methylpropan-2-amine;methane (CID 158727913) is 2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N-(cyclohexylmethyl)-N,2-dimethylpropan-2-amine;N-(cyclohexylmethyl)-2-methylpropan-2-amine;methane.
What is the SMILES notation for 2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N-(cyclohexylmethyl)-N,2-dimethylpropan-2-amine;N-(cyclohexylmethyl)-2-methylpropan-2-amine;methane?
The canonical SMILES for 2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N-(cyclohexylmethyl)-N,2-dimethylpropan-2-amine;N-(cyclohexylmethyl)-2-methylpropan-2-amine;methane is C.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CCC2(CCCC2)CC1.CC(C)(C)N1CCC2(CCCCC2)C1.CC(C)(C)NCC1CCCCC1.CC1CCN(C(C)(C)C)CC1.CCC1CCN(C(C)(C)C)CC1.CCCC1CCN(C(C)(C)C)CC1.CN(CC1CCCCC1)C(C)(C)C.CN1CC2CC1CN2C(C)(C)C.CNC1CCN(C(C)(C)C)CC1.
What is the InChIKey of 2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N-(cyclohexylmethyl)-N,2-dimethylpropan-2-amine;N-(cyclohexylmethyl)-2-methylpropan-2-amine;methane?
The InChIKey is IKSVYASMZIFFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H25N.2C12H25N.2C11H23N.C10H20N2.C10H22N2.C10H19N.C10H21N.CH4/c1-12(2,3)14-10-8-13(9-11-14)6-4-5-7-13;1-12(2,3)14-10-9-13(11-14)7-5-4-6-8-13;1-12(2,3)13(4)10-11-8-6-5-7-9-11;1-5-6-11-7-9-13(10-8-11)12(2,3)4;1-11(2,3)12-9-10-7-5-4-6-8-10;1-5-10-6-8-12(9-7-10)11(2,3)4;1-10(2,3)12-7-8-5-9(12)6-11(8)4;1-10(2,3)12-7-5-9(11-4)6-8-12;1-10(2,3)11-7-8-4-5-9(11)6-8;1-9-5-7-11(8-6-9)10(2,3)4;/h2*4-11H2,1-3H3;2*11H,5-10H2,1-4H3;10,12H,4-9H2,1-3H3;10H,5-9H2,1-4H3;8-9H,5-7H2,1-4H3;9,11H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3;9H,5-8H2,1-4H3;1H4.
What are the key properties of 2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N-(cyclohexylmethyl)-N,2-dimethylpropan-2-amine;N-(cyclohexylmethyl)-2-methylpropan-2-amine;methane?
2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N-(cyclohexylmethyl)-N,2-dimethylpropan-2-amine;N-(cyclohexylmethyl)-2-methylpropan-2-amine;methane has a molecular weight of 1759.18 g/mol, XLogP of 27.40, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N-(cyclohexylmethyl)-N,2-dimethylpropan-2-amine;N-(cyclohexylmethyl)-2-methylpropan-2-amine;methane is sourced from PubChem (CID 158727913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).