cyclohexylmethanol;2-cyclopentylethanol;cyclopentylmethanol;cyclopropylmethanol;2-(dimethylamino)ethanol;2-ethoxyethanol;2-hydroxyacetic acid;2-hydroxy-N,N-dimethylacetamide;1-(2-hydroxyethyl)pyrrolidin-2-one;2-methoxyethanol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperidin-2-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;2-morpholin-4-ylethanol;oxan-4-ol;oxan-4-ylmethanol;oxolan-3-ol;oxolan-2-ylmethanol;oxolan-3-ylmethanol;2-phenylethanol;2-piperidin-1-ylethanol;2-propan-2-yloxyethanol;2-prop-2-enoxyethanol;2-pyridin-2-ylethanol;2-pyridin-3-ylethanol;2-pyridin-4-ylethanol;2-pyrrolidin-1-ylethanol;2-(1,3-thiazol-2-yl)ethanol;2-thiomorpholin-4-ylethanol;2-(2,2,2-trifluoroethoxy)ethanol

C165H322F3N15O45S2 — CID 158584720

IUPACcyclohexylmethanol;2-cyclopentylethanol;cyclopentylmethanol;cyclopropylmethanol;2-(dimethylamino)ethanol;2-ethoxyethanol;2-hydroxyacetic acid;2-hydroxy-N,N-dimethylacetamide;1-(2-hydroxyethyl)pyrrolidin-2-one;2-methoxyethanol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperidin-2-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;2-morpholin-4-ylethanol;oxan-4-ol;oxan-4-ylmethanol;oxolan-3-ol;oxolan-2-ylmethanol;oxolan-3-ylmethanol;2-phenylethanol;2-piperidin-1-ylethanol;2-propan-2-yloxyethanol;2-prop-2-enoxyethanol;2-pyridin-2-ylethanol;2-pyridin-3-ylethanol;2-pyridin-4-ylethanol;2-pyrrolidin-1-ylethanol;2-(1,3-thiazol-2-yl)ethanol;2-thiomorpholin-4-ylethanol;2-(2,2,2-trifluoroethoxy)ethanol
SMILESC=CCOCCO.CC(C)OCCO.CCOCCO.CN(C)C(=O)CO.CN(C)CCO.CN1CCCC1CO.CN1CCCCC1CO.CN1CCN(CCO)CC1.COCCO.O=C(O)CO.O=C1CCCN1CCO.OC1CCOC1.OC1CCOCC1.OCC1CC1.OCC1CCCC1.OCC1CCCCC1.OCC1CCCO1.OCC1CCOC1.OCC1CCOCC1.OCCC1CCCC1.OCCN1CCCC1.OCCN1CCCCC1.OCCN1CCOCC1.OCCN1CCSCC1.OCCOCC(F)(F)F.OCCc1ccccc1.OCCc1ccccn1.OCCc1cccnc1.OCCc1ccncc1.OCCc1nccs1
InChIInChI=1S/C8H10O.C7H16N2O.C7H9NO.C7H15NO.2C7H9NO.C7H15NO.2C7H14O.C6H13NO2.C6H11NO2.C6H13NOS.2C6H13NO.C6H12O2.C6H12O.C5H7NOS.3C5H10O2.C5H12O2.C5H10O2.C4H7F3O2.C4H9NO2.C4H11NO.C4H8O2.C4H10O2.C4H8O.C3H8O2.C2H4O3/c9-7-6-8-4-2-1-3-5-8;1-8-2-4-9(5-3-8)6-7-10;9-6-3-7-1-4-8-5-2-7;1-8-5-3-2-4-7(8)6-9;9-5-3-7-2-1-4-8-6-7;9-6-4-7-3-1-2-5-8-7;9-7-6-8-4-2-1-3-5-8;8-6-5-7-3-1-2-4-7;8-6-7-4-2-1-3-5-7;8-4-1-7-2-5-9-6-3-7;8-5-4-7-3-1-2-6(7)9;8-4-1-7-2-5-9-6-3-7;1-7-4-2-3-6(7)5-8;8-6-5-7-3-1-2-4-7;7-5-6-1-3-8-4-2-6;7-5-6-3-1-2-4-6;7-3-1-5-6-2-4-8-5;6-5-1-3-7-4-2-5;6-3-5-1-2-7-4-5;6-4-5-2-1-3-7-5;1-5(2)7-4-3-6;1-2-4-7-5-3-6;5-4(6,7)3-9-2-1-8;1-5(2)4(7)3-6;1-5(2)3-4-6;5-4-1-2-6-3-4;1-2-6-4-3-5;5-3-4-1-2-4;1-5-3-2-4;3-1-2(4)5/h1-5,9H,6-7H2;10H,2-7H2,1H3;1-2,4-5,9H,3,6H2;7,9H,2-6H2,1H3;1-2,4,6,9H,3,5H2;1-3,5,9H,4,6H2;9H,1-7H2;2*7-8H,1-6H2;8H,1-6H2;8H,1-5H2;8H,1-6H2;6,8H,2-5H2,1H3;8H,1-6H2;6-7H,1-5H2;6-7H,1-5H2;2,4,7H,1,3H2;3*5-6H,1-4H2;5-6H,3-4H2,1-2H3;2,6H,1,3-5H2;8H,1-3H2;6H,3H2,1-2H3;6H,3-4H2,1-2H3;4-5H,1-3H2;5H,2-4H2,1H3;4-5H,1-3H2;4H,2-3H2,1H3;3H,1H2,(H,4,5)
InChIKeyHTRLJPBCHWPNAT-UHFFFAOYSA-N
MW3357.58 g/mol
LogP6.62
Rot. Bonds51

About cyclohexylmethanol;2-cyclopentylethanol;cyclopentylmethanol;cyclopropylmethanol;2-(dimethylamino)ethanol;2-ethoxyethanol;2-hydroxyacetic acid;2-hydroxy-N,N-dimethylacetamide;1-(2-hydroxyethyl)pyrrolidin-2-one;2-methoxyethanol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperidin-2-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;2-morpholin-4-ylethanol;oxan-4-ol;oxan-4-ylmethanol;oxolan-3-ol;oxolan-2-ylmethanol;oxolan-3-ylmethanol;2-phenylethanol;2-piperidin-1-ylethanol;2-propan-2-yloxyethanol;2-prop-2-enoxyethanol;2-pyridin-2-ylethanol;2-pyridin-3-ylethanol;2-pyridin-4-ylethanol;2-pyrrolidin-1-ylethanol;2-(1,3-thiazol-2-yl)ethanol;2-thiomorpholin-4-ylethanol;2-(2,2,2-trifluoroethoxy)ethanol

cyclohexylmethanol;2-cyclopentylethanol;cyclopentylmethanol;cyclopropylmethanol;2-(dimethylamino)ethanol;2-ethoxyethanol;2-hydroxyacetic acid;2-hydroxy-N,N-dimethylacetamide;1-(2-hydroxyethyl)pyrrolidin-2-one;2-methoxyethanol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperidin-2-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;2-morpholin-4-ylethanol;oxan-4-ol;oxan-4-ylmethanol;oxolan-3-ol;oxolan-2-ylmethanol;oxolan-3-ylmethanol;2-phenylethanol;2-piperidin-1-ylethanol;2-propan-2-yloxyethanol;2-prop-2-enoxyethanol;2-pyridin-2-ylethanol;2-pyridin-3-ylethanol;2-pyridin-4-ylethanol;2-pyrrolidin-1-ylethanol;2-(1,3-thiazol-2-yl)ethanol;2-thiomorpholin-4-ylethanol;2-(2,2,2-trifluoroethoxy)ethanol (PubChem CID 158584720) has the molecular formula C165H322F3N15O45S2 and a molecular weight of 3357.58 g/mol. Its IUPAC name is cyclohexylmethanol;2-cyclopentylethanol;cyclopentylmethanol;cyclopropylmethanol;2-(dimethylamino)ethanol;2-ethoxyethanol;2-hydroxyacetic acid;2-hydroxy-N,N-dimethylacetamide;1-(2-hydroxyethyl)pyrrolidin-2-one;2-methoxyethanol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperidin-2-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;2-morpholin-4-ylethanol;oxan-4-ol;oxan-4-ylmethanol;oxolan-3-ol;oxolan-2-ylmethanol;oxolan-3-ylmethanol;2-phenylethanol;2-piperidin-1-ylethanol;2-propan-2-yloxyethanol;2-prop-2-enoxyethanol;2-pyridin-2-ylethanol;2-pyridin-3-ylethanol;2-pyridin-4-ylethanol;2-pyrrolidin-1-ylethanol;2-(1,3-thiazol-2-yl)ethanol;2-thiomorpholin-4-ylethanol;2-(2,2,2-trifluoroethoxy)ethanol.

Molecular Properties

Compound Namecyclohexylmethanol;2-cyclopentylethanol;cyclopentylmethanol;cyclopropylmethanol;2-(dimethylamino)ethanol;2-ethoxyethanol;2-hydroxyacetic acid;2-hydroxy-N,N-dimethylacetamide;1-(2-hydroxyethyl)pyrrolidin-2-one;2-methoxyethanol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperidin-2-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;2-morpholin-4-ylethanol;oxan-4-ol;oxan-4-ylmethanol;oxolan-3-ol;oxolan-2-ylmethanol;oxolan-3-ylmethanol;2-phenylethanol;2-piperidin-1-ylethanol;2-propan-2-yloxyethanol;2-prop-2-enoxyethanol;2-pyridin-2-ylethanol;2-pyridin-3-ylethanol;2-pyridin-4-ylethanol;2-pyrrolidin-1-ylethanol;2-(1,3-thiazol-2-yl)ethanol;2-thiomorpholin-4-ylethanol;2-(2,2,2-trifluoroethoxy)ethanol
PubChem CID158584720
Molecular FormulaC165H322F3N15O45S2
Molecular Weight3357.58 g/mol
Exact Mass3355.28
IUPAC Namecyclohexylmethanol;2-cyclopentylethanol;cyclopentylmethanol;cyclopropylmethanol;2-(dimethylamino)ethanol;2-ethoxyethanol;2-hydroxyacetic acid;2-hydroxy-N,N-dimethylacetamide;1-(2-hydroxyethyl)pyrrolidin-2-one;2-methoxyethanol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperidin-2-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;2-morpholin-4-ylethanol;oxan-4-ol;oxan-4-ylmethanol;oxolan-3-ol;oxolan-2-ylmethanol;oxolan-3-ylmethanol;2-phenylethanol;2-piperidin-1-ylethanol;2-propan-2-yloxyethanol;2-prop-2-enoxyethanol;2-pyridin-2-ylethanol;2-pyridin-3-ylethanol;2-pyridin-4-ylethanol;2-pyrrolidin-1-ylethanol;2-(1,3-thiazol-2-yl)ethanol;2-thiomorpholin-4-ylethanol;2-(2,2,2-trifluoroethoxy)ethanol
SMILESC=CCOCCO.CC(C)OCCO.CCOCCO.CN(C)C(=O)CO.CN(C)CCO.CN1CCCC1CO.CN1CCCCC1CO.CN1CCN(CCO)CC1.COCCO.O=C(O)CO.O=C1CCCN1CCO.OC1CCOC1.OC1CCOCC1.OCC1CC1.OCC1CCCC1.OCC1CCCCC1.OCC1CCCO1.OCC1CCOC1.OCC1CCOCC1.OCCC1CCCC1.OCCN1CCCC1.OCCN1CCCCC1.OCCN1CCOCC1.OCCN1CCSCC1.OCCOCC(F)(F)F.OCCc1ccccc1.OCCc1ccccn1.OCCc1cccnc1.OCCc1ccncc1.OCCc1nccs1
InChIInChI=1S/C8H10O.C7H16N2O.C7H9NO.C7H15NO.2C7H9NO.C7H15NO.2C7H14O.C6H13NO2.C6H11NO2.C6H13NOS.2C6H13NO.C6H12O2.C6H12O.C5H7NOS.3C5H10O2.C5H12O2.C5H10O2.C4H7F3O2.C4H9NO2.C4H11NO.C4H8O2.C4H10O2.C4H8O.C3H8O2.C2H4O3/c9-7-6-8-4-2-1-3-5-8;1-8-2-4-9(5-3-8)6-7-10;9-6-3-7-1-4-8-5-2-7;1-8-5-3-2-4-7(8)6-9;9-5-3-7-2-1-4-8-6-7;9-6-4-7-3-1-2-5-8-7;9-7-6-8-4-2-1-3-5-8;8-6-5-7-3-1-2-4-7;8-6-7-4-2-1-3-5-7;8-4-1-7-2-5-9-6-3-7;8-5-4-7-3-1-2-6(7)9;8-4-1-7-2-5-9-6-3-7;1-7-4-2-3-6(7)5-8;8-6-5-7-3-1-2-4-7;7-5-6-1-3-8-4-2-6;7-5-6-3-1-2-4-6;7-3-1-5-6-2-4-8-5;6-5-1-3-7-4-2-5;6-3-5-1-2-7-4-5;6-4-5-2-1-3-7-5;1-5(2)7-4-3-6;1-2-4-7-5-3-6;5-4(6,7)3-9-2-1-8;1-5(2)4(7)3-6;1-5(2)3-4-6;5-4-1-2-6-3-4;1-2-6-4-3-5;5-3-4-1-2-4;1-5-3-2-4;3-1-2(4)5/h1-5,9H,6-7H2;10H,2-7H2,1H3;1-2,4-5,9H,3,6H2;7,9H,2-6H2,1H3;1-2,4,6,9H,3,5H2;1-3,5,9H,4,6H2;9H,1-7H2;2*7-8H,1-6H2;8H,1-6H2;8H,1-5H2;8H,1-6H2;6,8H,2-5H2,1H3;8H,1-6H2;6-7H,1-5H2;6-7H,1-5H2;2,4,7H,1,3H2;3*5-6H,1-4H2;5-6H,3-4H2,1-2H3;2,6H,1,3-5H2;8H,1-3H2;6H,3H2,1-2H3;6H,3-4H2,1-2H3;4-5H,1-3H2;5H,2-4H2,1H3;4-5H,1-3H2;4H,2-3H2,1H3;3H,1H2,(H,4,5)
InChIKeyHTRLJPBCHWPNAT-UHFFFAOYSA-N
XLogP6.62
TPSA867.07 Ų
H-Bond Donors31
H-Bond Acceptors59
Rotatable Bonds51
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003357.58
LogP ≤ 56.62
H-Bond Donors ≤ 531
H-Bond Acceptors ≤ 1059

Computed Properties (RDKit)

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

Analyze cyclohexylmethanol;2-cyclopentylethanol;cyclopentylmethanol;cyclopropylmethanol;2-(dimethylamino)ethanol;2-ethoxyethanol;2-hydroxyacetic acid;2-hydroxy-N,N-dimethylacetamide;1-(2-hydroxyethyl)pyrrolidin-2-one;2-methoxyethanol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperidin-2-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;2-morpholin-4-ylethanol;oxan-4-ol;oxan-4-ylmethanol;oxolan-3-ol;oxolan-2-ylmethanol;oxolan-3-ylmethanol;2-phenylethanol;2-piperidin-1-ylethanol;2-propan-2-yloxyethanol;2-prop-2-enoxyethanol;2-pyridin-2-ylethanol;2-pyridin-3-ylethanol;2-pyridin-4-ylethanol;2-pyrrolidin-1-ylethanol;2-(1,3-thiazol-2-yl)ethanol;2-thiomorpholin-4-ylethanol;2-(2,2,2-trifluoroethoxy)ethanol with MolForge

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Related Compounds

2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclohexane;4-(2,2-dimethylpropyl)morpholine;4-(2,2-dimethylpropyl)oxane;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)-1H-pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)-1,2,3,6-tetrahydropyridine;4-(2,2-dimethylpropyl)-1,4-thiazinane 1,1-dioxide;4-(2,2-dimethylpropyl)-1,4-thiazinane 1-oxide;4-(2,2-dimethylpropyl)thiomorpholine
CID 157356334
(4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanone;N,4-dimethyl-N-(2-pyridin-2-ylethyl)benzamide;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone;(4-ethylpiperazin-1-yl)-(4-methylphenyl)methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;4-methyl-N-(2-morpholin-4-ylethyl)benzamide;(3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 160944024
1-[2-[methyl-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]amino]ethyl]pyrrolidin-2-one
CID 96567368
N-benzylpropan-2-amine;1-cyclohexyl-4-methylpentan-2-one;1-cyclohexyl-3-propan-2-ylurea;1-(4-hydroxycyclohexyl)-4-methylpentan-2-one;2-hydroxy-1-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]ethanone;2-hydroxy-1-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]ethanone;2-methoxypropane;3-(3-methylbutyl)pyridine;2-methylpropane;2-methylpropyl N-propan-2-ylcarbamate;N-propan-2-ylmorpholin-4-amine;N-propan-2-yloxan-4-amine;propan-2-yloxycyclopentane;N-propan-2-ylpropan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;2,2,2-trifluoro-N-propan-2-ylethanesulfonamide
CID 159422484
2-(1-adamantyl)ethanol;but-3-en-1-ol;3-butylpyridine;but-2-yn-1-ol;2-cyclopentylethanol;cyclopropylmethanol;(3S)-3,7-dimethyloct-6-en-1-ol;ethanol;2-(4-fluorophenyl)ethanol;hept-2-yn-1-ol;hexan-1-ol;methanol;4-methoxybutan-1-ol;2-methylpentane;oct-3-yn-1-ol;oct-7-yn-1-ol;pentylbenzene;pent-1-yne;3-phenylpropan-1-ol;3-piperidin-1-ylpropan-1-ol;1-propyl-3-(trifluoromethyl)benzene;2-thiophen-3-ylethanol
CID 161266754
7-tert-butylbicyclo[2.2.1]heptan-2-amine;tert-butylcyclopropane;3-tert-butyl-1-ethylpiperidine;tert-butyl-methylidene-oxo-propyl-λ6-sulfane;1-cyclopentyl-3,3-dimethylbutan-2-one;bis(2,2-dimethylbutane);3-(3,3-dimethylbutoxymethyl)pyrrolidine;3-(3,3-dimethylbutoxy)pyridine;3-(3,3-dimethylbutoxy)pyrrolidine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-4-fluorobenzene;1-(3,3-dimethylbutyl)imidazole;4-(3,3-dimethylbutyl)morpholine;4,4-dimethylpentane-1,2-diol;3-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octane;5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine;2-(2,2-dimethylpropyl)pyrrolidine;3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane;N-(2-hydroxyethyl)-2,2-dimethylpropanamide;1-methoxy-3,3-dimethylbutane;N,N,3,3-tetramethylbutan-1-amine
CID 162214493
N-benzyl-2-methylpropan-2-amine;4-(tert-butylamino)cyclohexan-1-ol;2-(tert-butylamino)ethanol;N-tert-butylcyclopentanamine;N-tert-butyl-6-methylpyridin-3-amine;N-tert-butylpyridin-3-amine;N,2-dimethylpropan-2-amine;ethane;4-(4-ethylpiperazin-1-yl)-N-propan-2-ylaniline;N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine;N-[3-(2-iodoethyliodanuidyl)propyl]-2-methylpropan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(3-morpholin-4-ylpropyl)propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;2-methylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine;4-(2-morpholin-4-ylethyl)-N-propan-2-ylaniline;N-propan-2-ylcyclopropanamine
CID 159048850
N-benzylpropan-2-amine;N-(cyclohexylmethyl)propan-2-amine;N-[(3-isocyanophenyl)methyl]propan-2-amine;N-[(4-methoxyphenyl)methyl]propan-2-amine;N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;1-methyl-N-propan-2-ylpiperidin-4-amine;N-(2-morpholin-4-ylethyl)propan-2-amine;N-(oxan-4-ylmethyl)propan-2-amine;N-(2-piperidin-1-ylethyl)propan-2-amine;4-(propan-2-ylamino)cyclohexan-1-ol;1-propan-2-ylazetidin-3-ol;N-propan-2-ylcyclohexanamine;4-N-propan-2-ylcyclohexane-1,4-diamine;N-propan-2-ylcyclopentanamine;N-propan-2-yloxan-4-amine;N-propan-2-yloxetan-3-amine;N-(pyridin-3-ylmethyl)propan-2-amine;N-(pyridin-4-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine
CID 158774530
4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[(3-tert-butylphenyl)methyl-methylamino]propan-2-one;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-4-ylethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine;methane
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N-[(6-chloro-3-pyridinyl)methyl]propan-2-amine;2-(4,4-dimethylpentyl)pyridine;3-(4,4-dimethylpentyl)pyridine;4-(4,4-dimethylpentyl)pyridine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,2-dimethyl-N-(pyridin-3-ylmethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperazine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine;2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-2-amine;1-(3-phenylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-pyridin-2-ylethyl)piperazine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 158063647
3-morpholin-4-yl-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one
CID 125012369
benzyl (3R)-3-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;N-[(4-chlorophenyl)methyl]-2-methylpropanamide;N-(cyclohexylmethyl)-2-methylpropanamide;N-cyclohexyl-2-methylpropanamide;N-(cyclopentylmethyl)-2-methylpropanamide;N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpropanamide;N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropanamide;3-methylbutan-2-one;2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide;2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;bis(2-methyl-N-propylpropanamide);2-methyl-N-(pyrazin-2-ylmethyl)propanamide
CID 162198089

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethanol;2-cyclopentylethanol;cyclopentylmethanol;cyclopropylmethanol;2-(dimethylamino)ethanol;2-ethoxyethanol;2-hydroxyacetic acid;2-hydroxy-N,N-dimethylacetamide;1-(2-hydroxyethyl)pyrrolidin-2-one;2-methoxyethanol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperidin-2-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;2-morpholin-4-ylethanol;oxan-4-ol;oxan-4-ylmethanol;oxolan-3-ol;oxolan-2-ylmethanol;oxolan-3-ylmethanol;2-phenylethanol;2-piperidin-1-ylethanol;2-propan-2-yloxyethanol;2-prop-2-enoxyethanol;2-pyridin-2-ylethanol;2-pyridin-3-ylethanol;2-pyridin-4-ylethanol;2-pyrrolidin-1-ylethanol;2-(1,3-thiazol-2-yl)ethanol;2-thiomorpholin-4-ylethanol;2-(2,2,2-trifluoroethoxy)ethanol?
The IUPAC name of cyclohexylmethanol;2-cyclopentylethanol;cyclopentylmethanol;cyclopropylmethanol;2-(dimethylamino)ethanol;2-ethoxyethanol;2-hydroxyacetic acid;2-hydroxy-N,N-dimethylacetamide;1-(2-hydroxyethyl)pyrrolidin-2-one;2-methoxyethanol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperidin-2-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;2-morpholin-4-ylethanol;oxan-4-ol;oxan-4-ylmethanol;oxolan-3-ol;oxolan-2-ylmethanol;oxolan-3-ylmethanol;2-phenylethanol;2-piperidin-1-ylethanol;2-propan-2-yloxyethanol;2-prop-2-enoxyethanol;2-pyridin-2-ylethanol;2-pyridin-3-ylethanol;2-pyridin-4-ylethanol;2-pyrrolidin-1-ylethanol;2-(1,3-thiazol-2-yl)ethanol;2-thiomorpholin-4-ylethanol;2-(2,2,2-trifluoroethoxy)ethanol (CID 158584720) is cyclohexylmethanol;2-cyclopentylethanol;cyclopentylmethanol;cyclopropylmethanol;2-(dimethylamino)ethanol;2-ethoxyethanol;2-hydroxyacetic acid;2-hydroxy-N,N-dimethylacetamide;1-(2-hydroxyethyl)pyrrolidin-2-one;2-methoxyethanol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperidin-2-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;2-morpholin-4-ylethanol;oxan-4-ol;oxan-4-ylmethanol;oxolan-3-ol;oxolan-2-ylmethanol;oxolan-3-ylmethanol;2-phenylethanol;2-piperidin-1-ylethanol;2-propan-2-yloxyethanol;2-prop-2-enoxyethanol;2-pyridin-2-ylethanol;2-pyridin-3-ylethanol;2-pyridin-4-ylethanol;2-pyrrolidin-1-ylethanol;2-(1,3-thiazol-2-yl)ethanol;2-thiomorpholin-4-ylethanol;2-(2,2,2-trifluoroethoxy)ethanol.
What is the SMILES notation for cyclohexylmethanol;2-cyclopentylethanol;cyclopentylmethanol;cyclopropylmethanol;2-(dimethylamino)ethanol;2-ethoxyethanol;2-hydroxyacetic acid;2-hydroxy-N,N-dimethylacetamide;1-(2-hydroxyethyl)pyrrolidin-2-one;2-methoxyethanol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperidin-2-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;2-morpholin-4-ylethanol;oxan-4-ol;oxan-4-ylmethanol;oxolan-3-ol;oxolan-2-ylmethanol;oxolan-3-ylmethanol;2-phenylethanol;2-piperidin-1-ylethanol;2-propan-2-yloxyethanol;2-prop-2-enoxyethanol;2-pyridin-2-ylethanol;2-pyridin-3-ylethanol;2-pyridin-4-ylethanol;2-pyrrolidin-1-ylethanol;2-(1,3-thiazol-2-yl)ethanol;2-thiomorpholin-4-ylethanol;2-(2,2,2-trifluoroethoxy)ethanol?
The canonical SMILES for cyclohexylmethanol;2-cyclopentylethanol;cyclopentylmethanol;cyclopropylmethanol;2-(dimethylamino)ethanol;2-ethoxyethanol;2-hydroxyacetic acid;2-hydroxy-N,N-dimethylacetamide;1-(2-hydroxyethyl)pyrrolidin-2-one;2-methoxyethanol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperidin-2-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;2-morpholin-4-ylethanol;oxan-4-ol;oxan-4-ylmethanol;oxolan-3-ol;oxolan-2-ylmethanol;oxolan-3-ylmethanol;2-phenylethanol;2-piperidin-1-ylethanol;2-propan-2-yloxyethanol;2-prop-2-enoxyethanol;2-pyridin-2-ylethanol;2-pyridin-3-ylethanol;2-pyridin-4-ylethanol;2-pyrrolidin-1-ylethanol;2-(1,3-thiazol-2-yl)ethanol;2-thiomorpholin-4-ylethanol;2-(2,2,2-trifluoroethoxy)ethanol is C=CCOCCO.CC(C)OCCO.CCOCCO.CN(C)C(=O)CO.CN(C)CCO.CN1CCCC1CO.CN1CCCCC1CO.CN1CCN(CCO)CC1.COCCO.O=C(O)CO.O=C1CCCN1CCO.OC1CCOC1.OC1CCOCC1.OCC1CC1.OCC1CCCC1.OCC1CCCCC1.OCC1CCCO1.OCC1CCOC1.OCC1CCOCC1.OCCC1CCCC1.OCCN1CCCC1.OCCN1CCCCC1.OCCN1CCOCC1.OCCN1CCSCC1.OCCOCC(F)(F)F.OCCc1ccccc1.OCCc1ccccn1.OCCc1cccnc1.OCCc1ccncc1.OCCc1nccs1.
What is the InChIKey of cyclohexylmethanol;2-cyclopentylethanol;cyclopentylmethanol;cyclopropylmethanol;2-(dimethylamino)ethanol;2-ethoxyethanol;2-hydroxyacetic acid;2-hydroxy-N,N-dimethylacetamide;1-(2-hydroxyethyl)pyrrolidin-2-one;2-methoxyethanol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperidin-2-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;2-morpholin-4-ylethanol;oxan-4-ol;oxan-4-ylmethanol;oxolan-3-ol;oxolan-2-ylmethanol;oxolan-3-ylmethanol;2-phenylethanol;2-piperidin-1-ylethanol;2-propan-2-yloxyethanol;2-prop-2-enoxyethanol;2-pyridin-2-ylethanol;2-pyridin-3-ylethanol;2-pyridin-4-ylethanol;2-pyrrolidin-1-ylethanol;2-(1,3-thiazol-2-yl)ethanol;2-thiomorpholin-4-ylethanol;2-(2,2,2-trifluoroethoxy)ethanol?
The InChIKey is HTRLJPBCHWPNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C7H16N2O.C7H9NO.C7H15NO.2C7H9NO.C7H15NO.2C7H14O.C6H13NO2.C6H11NO2.C6H13NOS.2C6H13NO.C6H12O2.C6H12O.C5H7NOS.3C5H10O2.C5H12O2.C5H10O2.C4H7F3O2.C4H9NO2.C4H11NO.C4H8O2.C4H10O2.C4H8O.C3H8O2.C2H4O3/c9-7-6-8-4-2-1-3-5-8;1-8-2-4-9(5-3-8)6-7-10;9-6-3-7-1-4-8-5-2-7;1-8-5-3-2-4-7(8)6-9;9-5-3-7-2-1-4-8-6-7;9-6-4-7-3-1-2-5-8-7;9-7-6-8-4-2-1-3-5-8;8-6-5-7-3-1-2-4-7;8-6-7-4-2-1-3-5-7;8-4-1-7-2-5-9-6-3-7;8-5-4-7-3-1-2-6(7)9;8-4-1-7-2-5-9-6-3-7;1-7-4-2-3-6(7)5-8;8-6-5-7-3-1-2-4-7;7-5-6-1-3-8-4-2-6;7-5-6-3-1-2-4-6;7-3-1-5-6-2-4-8-5;6-5-1-3-7-4-2-5;6-3-5-1-2-7-4-5;6-4-5-2-1-3-7-5;1-5(2)7-4-3-6;1-2-4-7-5-3-6;5-4(6,7)3-9-2-1-8;1-5(2)4(7)3-6;1-5(2)3-4-6;5-4-1-2-6-3-4;1-2-6-4-3-5;5-3-4-1-2-4;1-5-3-2-4;3-1-2(4)5/h1-5,9H,6-7H2;10H,2-7H2,1H3;1-2,4-5,9H,3,6H2;7,9H,2-6H2,1H3;1-2,4,6,9H,3,5H2;1-3,5,9H,4,6H2;9H,1-7H2;2*7-8H,1-6H2;8H,1-6H2;8H,1-5H2;8H,1-6H2;6,8H,2-5H2,1H3;8H,1-6H2;6-7H,1-5H2;6-7H,1-5H2;2,4,7H,1,3H2;3*5-6H,1-4H2;5-6H,3-4H2,1-2H3;2,6H,1,3-5H2;8H,1-3H2;6H,3H2,1-2H3;6H,3-4H2,1-2H3;4-5H,1-3H2;5H,2-4H2,1H3;4-5H,1-3H2;4H,2-3H2,1H3;3H,1H2,(H,4,5).
What are the key properties of cyclohexylmethanol;2-cyclopentylethanol;cyclopentylmethanol;cyclopropylmethanol;2-(dimethylamino)ethanol;2-ethoxyethanol;2-hydroxyacetic acid;2-hydroxy-N,N-dimethylacetamide;1-(2-hydroxyethyl)pyrrolidin-2-one;2-methoxyethanol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperidin-2-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;2-morpholin-4-ylethanol;oxan-4-ol;oxan-4-ylmethanol;oxolan-3-ol;oxolan-2-ylmethanol;oxolan-3-ylmethanol;2-phenylethanol;2-piperidin-1-ylethanol;2-propan-2-yloxyethanol;2-prop-2-enoxyethanol;2-pyridin-2-ylethanol;2-pyridin-3-ylethanol;2-pyridin-4-ylethanol;2-pyrrolidin-1-ylethanol;2-(1,3-thiazol-2-yl)ethanol;2-thiomorpholin-4-ylethanol;2-(2,2,2-trifluoroethoxy)ethanol?
cyclohexylmethanol;2-cyclopentylethanol;cyclopentylmethanol;cyclopropylmethanol;2-(dimethylamino)ethanol;2-ethoxyethanol;2-hydroxyacetic acid;2-hydroxy-N,N-dimethylacetamide;1-(2-hydroxyethyl)pyrrolidin-2-one;2-methoxyethanol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperidin-2-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;2-morpholin-4-ylethanol;oxan-4-ol;oxan-4-ylmethanol;oxolan-3-ol;oxolan-2-ylmethanol;oxolan-3-ylmethanol;2-phenylethanol;2-piperidin-1-ylethanol;2-propan-2-yloxyethanol;2-prop-2-enoxyethanol;2-pyridin-2-ylethanol;2-pyridin-3-ylethanol;2-pyridin-4-ylethanol;2-pyrrolidin-1-ylethanol;2-(1,3-thiazol-2-yl)ethanol;2-thiomorpholin-4-ylethanol;2-(2,2,2-trifluoroethoxy)ethanol has a molecular weight of 3357.58 g/mol, XLogP of 6.62, 51 rotatable bonds, 31 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethanol;2-cyclopentylethanol;cyclopentylmethanol;cyclopropylmethanol;2-(dimethylamino)ethanol;2-ethoxyethanol;2-hydroxyacetic acid;2-hydroxy-N,N-dimethylacetamide;1-(2-hydroxyethyl)pyrrolidin-2-one;2-methoxyethanol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperidin-2-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;2-morpholin-4-ylethanol;oxan-4-ol;oxan-4-ylmethanol;oxolan-3-ol;oxolan-2-ylmethanol;oxolan-3-ylmethanol;2-phenylethanol;2-piperidin-1-ylethanol;2-propan-2-yloxyethanol;2-prop-2-enoxyethanol;2-pyridin-2-ylethanol;2-pyridin-3-ylethanol;2-pyridin-4-ylethanol;2-pyrrolidin-1-ylethanol;2-(1,3-thiazol-2-yl)ethanol;2-thiomorpholin-4-ylethanol;2-(2,2,2-trifluoroethoxy)ethanol is sourced from PubChem (CID 158584720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).