(2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;N-cyclopentyl-2-methylpropane-2-sulfonamide;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol;methyl 2,2-dimethylpropanoate;propan-2-yl 2,2-dimethylpropanoate

C186H281N23O20S4 — CID 157145658

IUPAC(2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;N-cyclopentyl-2-methylpropane-2-sulfonamide;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol;methyl 2,2-dimethylpropanoate;propan-2-yl 2,2-dimethylpropanoate
SMILESC=C(C1CCCC1)C(C)(C)C.CC(C)(C)C(O)(c1ccccn1)c1ccccn1.CC(C)(C)C(O)(c1ccccn1)c1cccnn1.CC(C)(C)C(O)(c1ccccn1)c1cnccn1.CC(C)(C)C(O)(c1ccccn1)c1ncccn1.CC(C)(C)C(O)(c1ccccn1)c1nccs1.CC(C)(C)C(O)(c1cccnc1)c1ccccn1.CC(C)(C)C(O)(c1cccnn1)C1CCCO1.CC(C)(C)C(O)(c1nccs1)c1nccs1.CC(C)(C)C(O)c1cccnc1.CC(C)(C)S(=O)(=O)NC1CCCC1.CC(C)(C)[C@H](O)C1CCCC1.CC(C)OC(=O)C(C)(C)C.CC[C@H](CO)NC(C)(C)C.COC(=O)C(C)(C)C.Cc1cccc(C(O)(C2CCCO2)C(C)(C)C)n1
InChIInChI=1S/2C15H18N2O.C15H23NO2.3C14H17N3O.C13H20N2O2.C13H16N2OS.C11H14N2OS2.C11H20.C10H15NO.C10H20O.C9H19NO2S.C8H19NO.C8H16O2.C6H12O2/c1-14(2,3)15(18,12-8-4-6-10-16-12)13-9-5-7-11-17-13;1-14(2,3)15(18,12-7-6-9-16-11-12)13-8-4-5-10-17-13;1-11-7-5-8-12(16-11)15(17,14(2,3)4)13-9-6-10-18-13;1-13(2,3)14(18,11-7-4-5-9-15-11)12-8-6-10-16-17-12;1-13(2,3)14(18,11-7-4-5-8-15-11)12-16-9-6-10-17-12;1-13(2,3)14(18,11-6-4-5-7-16-11)12-10-15-8-9-17-12;1-12(2,3)13(16,11-7-5-9-17-11)10-6-4-8-14-15-10;1-12(2,3)13(16,11-15-8-9-17-11)10-6-4-5-7-14-10;1-10(2,3)11(14,8-12-4-6-15-8)9-13-5-7-16-9;1-9(11(2,3)4)10-7-5-6-8-10;1-10(2,3)9(12)8-5-4-6-11-7-8;1-10(2,3)9(11)8-6-4-5-7-8;1-9(2,3)13(11,12)10-8-6-4-5-7-8;1-5-7(6-10)9-8(2,3)4;1-6(2)10-7(9)8(3,4)5;1-6(2,3)5(7)8-4/h2*4-11,18H,1-3H3;5,7-8,13,17H,6,9-10H2,1-4H3;3*4-10,18H,1-3H3;4,6,8,11,16H,5,7,9H2,1-3H3;4-9,16H,1-3H3;4-7,14H,1-3H3;10H,1,5-8H2,2-4H3;4-7,9,12H,1-3H3;8-9,11H,4-7H2,1-3H3;8,10H,4-7H2,1-3H3;7,9-10H,5-6H2,1-4H3;6H,1-5H3;1-4H3/t;;;;;;;;;;;9-;;7-;;/m...........1.1../s1
InChIKeyAKRDMIHLWACSTL-YCOOIPIASA-N
MW3287.70 g/mol
LogP36.88
Rot. Bonds27

About (2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;N-cyclopentyl-2-methylpropane-2-sulfonamide;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol;methyl 2,2-dimethylpropanoate;propan-2-yl 2,2-dimethylpropanoate

(2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;N-cyclopentyl-2-methylpropane-2-sulfonamide;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol;methyl 2,2-dimethylpropanoate;propan-2-yl 2,2-dimethylpropanoate (PubChem CID 157145658) has the molecular formula C186H281N23O20S4 and a molecular weight of 3287.70 g/mol. Its IUPAC name is (2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;N-cyclopentyl-2-methylpropane-2-sulfonamide;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol;methyl 2,2-dimethylpropanoate;propan-2-yl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;N-cyclopentyl-2-methylpropane-2-sulfonamide;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol;methyl 2,2-dimethylpropanoate;propan-2-yl 2,2-dimethylpropanoate
PubChem CID157145658
Molecular FormulaC186H281N23O20S4
Molecular Weight3287.70 g/mol
Exact Mass3285.06
IUPAC Name(2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;N-cyclopentyl-2-methylpropane-2-sulfonamide;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol;methyl 2,2-dimethylpropanoate;propan-2-yl 2,2-dimethylpropanoate
SMILESC=C(C1CCCC1)C(C)(C)C.CC(C)(C)C(O)(c1ccccn1)c1ccccn1.CC(C)(C)C(O)(c1ccccn1)c1cccnn1.CC(C)(C)C(O)(c1ccccn1)c1cnccn1.CC(C)(C)C(O)(c1ccccn1)c1ncccn1.CC(C)(C)C(O)(c1ccccn1)c1nccs1.CC(C)(C)C(O)(c1cccnc1)c1ccccn1.CC(C)(C)C(O)(c1cccnn1)C1CCCO1.CC(C)(C)C(O)(c1nccs1)c1nccs1.CC(C)(C)C(O)c1cccnc1.CC(C)(C)S(=O)(=O)NC1CCCC1.CC(C)(C)[C@H](O)C1CCCC1.CC(C)OC(=O)C(C)(C)C.CC[C@H](CO)NC(C)(C)C.COC(=O)C(C)(C)C.Cc1cccc(C(O)(C2CCCO2)C(C)(C)C)n1
InChIInChI=1S/2C15H18N2O.C15H23NO2.3C14H17N3O.C13H20N2O2.C13H16N2OS.C11H14N2OS2.C11H20.C10H15NO.C10H20O.C9H19NO2S.C8H19NO.C8H16O2.C6H12O2/c1-14(2,3)15(18,12-8-4-6-10-16-12)13-9-5-7-11-17-13;1-14(2,3)15(18,12-7-6-9-16-11-12)13-8-4-5-10-17-13;1-11-7-5-8-12(16-11)15(17,14(2,3)4)13-9-6-10-18-13;1-13(2,3)14(18,11-7-4-5-9-15-11)12-8-6-10-16-17-12;1-13(2,3)14(18,11-7-4-5-8-15-11)12-16-9-6-10-17-12;1-13(2,3)14(18,11-6-4-5-7-16-11)12-10-15-8-9-17-12;1-12(2,3)13(16,11-7-5-9-17-11)10-6-4-8-14-15-10;1-12(2,3)13(16,11-15-8-9-17-11)10-6-4-5-7-14-10;1-10(2,3)11(14,8-12-4-6-15-8)9-13-5-7-16-9;1-9(11(2,3)4)10-7-5-6-8-10;1-10(2,3)9(12)8-5-4-6-11-7-8;1-10(2,3)9(11)8-6-4-5-7-8;1-9(2,3)13(11,12)10-8-6-4-5-7-8;1-5-7(6-10)9-8(2,3)4;1-6(2)10-7(9)8(3,4)5;1-6(2,3)5(7)8-4/h2*4-11,18H,1-3H3;5,7-8,13,17H,6,9-10H2,1-4H3;3*4-10,18H,1-3H3;4,6,8,11,16H,5,7,9H2,1-3H3;4-9,16H,1-3H3;4-7,14H,1-3H3;10H,1,5-8H2,2-4H3;4-7,9,12H,1-3H3;8-9,11H,4-7H2,1-3H3;8,10H,4-7H2,1-3H3;7,9-10H,5-6H2,1-4H3;6H,1-5H3;1-4H3/t;;;;;;;;;;;9-;;7-;;/m...........1.1../s1
InChIKeyAKRDMIHLWACSTL-YCOOIPIASA-N
XLogP36.88
TPSA642.71 Ų
H-Bond Donors14
H-Bond Acceptors45
Rotatable Bonds27
Heavy Atoms233
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003287.70
LogP ≤ 536.88
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;N-cyclopentyl-2-methylpropane-2-sulfonamide;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol;methyl 2,2-dimethylpropanoate;propan-2-yl 2,2-dimethylpropanoate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;N-cyclopentyl-2-methylpropane-2-sulfonamide;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol;methyl 2,2-dimethylpropanoate;propan-2-yl 2,2-dimethylpropanoate?
The IUPAC name of (2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;N-cyclopentyl-2-methylpropane-2-sulfonamide;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol;methyl 2,2-dimethylpropanoate;propan-2-yl 2,2-dimethylpropanoate (CID 157145658) is (2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;N-cyclopentyl-2-methylpropane-2-sulfonamide;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol;methyl 2,2-dimethylpropanoate;propan-2-yl 2,2-dimethylpropanoate.
What is the SMILES notation for (2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;N-cyclopentyl-2-methylpropane-2-sulfonamide;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol;methyl 2,2-dimethylpropanoate;propan-2-yl 2,2-dimethylpropanoate?
The canonical SMILES for (2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;N-cyclopentyl-2-methylpropane-2-sulfonamide;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol;methyl 2,2-dimethylpropanoate;propan-2-yl 2,2-dimethylpropanoate is C=C(C1CCCC1)C(C)(C)C.CC(C)(C)C(O)(c1ccccn1)c1ccccn1.CC(C)(C)C(O)(c1ccccn1)c1cccnn1.CC(C)(C)C(O)(c1ccccn1)c1cnccn1.CC(C)(C)C(O)(c1ccccn1)c1ncccn1.CC(C)(C)C(O)(c1ccccn1)c1nccs1.CC(C)(C)C(O)(c1cccnc1)c1ccccn1.CC(C)(C)C(O)(c1cccnn1)C1CCCO1.CC(C)(C)C(O)(c1nccs1)c1nccs1.CC(C)(C)C(O)c1cccnc1.CC(C)(C)S(=O)(=O)NC1CCCC1.CC(C)(C)[C@H](O)C1CCCC1.CC(C)OC(=O)C(C)(C)C.CC[C@H](CO)NC(C)(C)C.COC(=O)C(C)(C)C.Cc1cccc(C(O)(C2CCCO2)C(C)(C)C)n1.
What is the InChIKey of (2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;N-cyclopentyl-2-methylpropane-2-sulfonamide;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol;methyl 2,2-dimethylpropanoate;propan-2-yl 2,2-dimethylpropanoate?
The InChIKey is AKRDMIHLWACSTL-YCOOIPIASA-N. The full InChI is InChI=1S/2C15H18N2O.C15H23NO2.3C14H17N3O.C13H20N2O2.C13H16N2OS.C11H14N2OS2.C11H20.C10H15NO.C10H20O.C9H19NO2S.C8H19NO.C8H16O2.C6H12O2/c1-14(2,3)15(18,12-8-4-6-10-16-12)13-9-5-7-11-17-13;1-14(2,3)15(18,12-7-6-9-16-11-12)13-8-4-5-10-17-13;1-11-7-5-8-12(16-11)15(17,14(2,3)4)13-9-6-10-18-13;1-13(2,3)14(18,11-7-4-5-9-15-11)12-8-6-10-16-17-12;1-13(2,3)14(18,11-7-4-5-8-15-11)12-16-9-6-10-17-12;1-13(2,3)14(18,11-6-4-5-7-16-11)12-10-15-8-9-17-12;1-12(2,3)13(16,11-7-5-9-17-11)10-6-4-8-14-15-10;1-12(2,3)13(16,11-15-8-9-17-11)10-6-4-5-7-14-10;1-10(2,3)11(14,8-12-4-6-15-8)9-13-5-7-16-9;1-9(11(2,3)4)10-7-5-6-8-10;1-10(2,3)9(12)8-5-4-6-11-7-8;1-10(2,3)9(11)8-6-4-5-7-8;1-9(2,3)13(11,12)10-8-6-4-5-7-8;1-5-7(6-10)9-8(2,3)4;1-6(2)10-7(9)8(3,4)5;1-6(2,3)5(7)8-4/h2*4-11,18H,1-3H3;5,7-8,13,17H,6,9-10H2,1-4H3;3*4-10,18H,1-3H3;4,6,8,11,16H,5,7,9H2,1-3H3;4-9,16H,1-3H3;4-7,14H,1-3H3;10H,1,5-8H2,2-4H3;4-7,9,12H,1-3H3;8-9,11H,4-7H2,1-3H3;8,10H,4-7H2,1-3H3;7,9-10H,5-6H2,1-4H3;6H,1-5H3;1-4H3/t;;;;;;;;;;;9-;;7-;;/m...........1.1../s1.
What are the key properties of (2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;N-cyclopentyl-2-methylpropane-2-sulfonamide;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol;methyl 2,2-dimethylpropanoate;propan-2-yl 2,2-dimethylpropanoate?
(2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;N-cyclopentyl-2-methylpropane-2-sulfonamide;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol;methyl 2,2-dimethylpropanoate;propan-2-yl 2,2-dimethylpropanoate has a molecular weight of 3287.70 g/mol, XLogP of 36.88, 27 rotatable bonds, 14 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;N-cyclopentyl-2-methylpropane-2-sulfonamide;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol;methyl 2,2-dimethylpropanoate;propan-2-yl 2,2-dimethylpropanoate is sourced from PubChem (CID 157145658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).