4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;(1R,5S)-3-methyl-8-(2-methylpropyl)bicyclo[3.2.1]octane;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;4-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol

C187H292ClN19O8S — CID 167676688

IUPAC4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;(1R,5S)-3-methyl-8-(2-methylpropyl)bicyclo[3.2.1]octane;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;4-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol
SMILESC=C1C=CC(CC(C)C)=CN1C.CC(C)CC1CCCCC1.CC(C)CC1[C@@H]2CC[C@H]1CC(C)C2.CC(C)CC[C@@H]1CCCN1.CC(C)Cc1cc(Cl)ccn1.CC(C)Cc1cc[nH]c(=O)c1.CC(C)Cc1ccc2c(c1)CC(=O)N2.CC(C)Cc1ccc2c(c1)CN(C)C2=O.CC(C)Cc1ccc[nH]c1=O.CC(C)Cc1cccc2[nH]ncc12.CC(C)Cc1ccccc1.CC(C)Cc1ncccn1.CC(C)Cc1nccs1.CC(C)N1CCCC(O)C1.CC(C)N1CCOCC1.CC(C)N1CCc2cccnc21.COC(=O)c1cc(CC(C)C)ccn1.Cc1ccc(CC(C)C)cn1.Cc1ccc(CC(C)C)nc1
InChIInChI=1S/C13H17NO.C13H24.C12H15NO.C11H14N2.C11H15NO2.C11H17N.C10H14N2.2C10H15N.C10H20.C10H14.C9H12ClN.2C9H13NO.C9H19N.C8H12N2.C8H17NO.C7H15NO.C7H11NS/c1-9(2)6-10-4-5-12-11(7-10)8-14(3)13(12)15;1-9(2)6-13-11-4-5-12(13)8-10(3)7-11;1-8(2)5-9-3-4-11-10(6-9)7-12(14)13-11;1-8(2)6-9-4-3-5-11-10(9)7-12-13-11;1-8(2)6-9-4-5-12-10(7-9)11(13)14-3;1-9(2)7-11-6-5-10(3)12(4)8-11;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-8(2)6-10-5-4-9(3)11-7-10;1-8(2)6-10-5-4-9(3)7-11-10;2*1-9(2)8-10-6-4-3-5-7-10;1-7(2)5-9-6-8(10)3-4-11-9;1-7(2)5-8-3-4-10-9(11)6-8;1-7(2)6-8-4-3-5-10-9(8)11;1-8(2)5-6-9-4-3-7-10-9;1-7(2)6-8-9-4-3-5-10-8;1-7(2)9-5-3-4-8(10)6-9;1-7(2)8-3-5-9-6-4-8;1-6(2)5-7-8-3-4-9-7/h4-5,7,9H,6,8H2,1-3H3;9-13H,4-8H2,1-3H3;3-4,6,8H,5,7H2,1-2H3,(H,13,14);3-5,7-8H,6H2,1-2H3,(H,12,13);4-5,7-8H,6H2,1-3H3;5-6,8-9H,3,7H2,1-2,4H3;3-4,6,8H,5,7H2,1-2H3;2*4-5,7-8H,6H2,1-3H3;9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-4,6-7H,5H2,1-2H3,(H,10,11);3-5,7H,6H2,1-2H3,(H,10,11);8-10H,3-7H2,1-2H3;3-5,7H,6H2,1-2H3;7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3-4,6H,5H2,1-2H3/t;10?,11-,12+,13?;;;;;;;;;;;;;9-;;;;/m..............0..../s1
InChIKeyUXPCZZMWHWEEPB-MWADDCRUSA-N
MW3002.04 g/mol
LogP44.09
Rot. Bonds37

About 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;(1R,5S)-3-methyl-8-(2-methylpropyl)bicyclo[3.2.1]octane;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;4-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol

4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;(1R,5S)-3-methyl-8-(2-methylpropyl)bicyclo[3.2.1]octane;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;4-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol (PubChem CID 167676688) has the molecular formula C187H292ClN19O8S and a molecular weight of 3002.04 g/mol. Its IUPAC name is 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;(1R,5S)-3-methyl-8-(2-methylpropyl)bicyclo[3.2.1]octane;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;4-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;(1R,5S)-3-methyl-8-(2-methylpropyl)bicyclo[3.2.1]octane;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;4-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol
PubChem CID167676688
Molecular FormulaC187H292ClN19O8S
Molecular Weight3002.04 g/mol
Exact Mass2999.24
IUPAC Name4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;(1R,5S)-3-methyl-8-(2-methylpropyl)bicyclo[3.2.1]octane;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;4-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol
SMILESC=C1C=CC(CC(C)C)=CN1C.CC(C)CC1CCCCC1.CC(C)CC1[C@@H]2CC[C@H]1CC(C)C2.CC(C)CC[C@@H]1CCCN1.CC(C)Cc1cc(Cl)ccn1.CC(C)Cc1cc[nH]c(=O)c1.CC(C)Cc1ccc2c(c1)CC(=O)N2.CC(C)Cc1ccc2c(c1)CN(C)C2=O.CC(C)Cc1ccc[nH]c1=O.CC(C)Cc1cccc2[nH]ncc12.CC(C)Cc1ccccc1.CC(C)Cc1ncccn1.CC(C)Cc1nccs1.CC(C)N1CCCC(O)C1.CC(C)N1CCOCC1.CC(C)N1CCc2cccnc21.COC(=O)c1cc(CC(C)C)ccn1.Cc1ccc(CC(C)C)cn1.Cc1ccc(CC(C)C)nc1
InChIInChI=1S/C13H17NO.C13H24.C12H15NO.C11H14N2.C11H15NO2.C11H17N.C10H14N2.2C10H15N.C10H20.C10H14.C9H12ClN.2C9H13NO.C9H19N.C8H12N2.C8H17NO.C7H15NO.C7H11NS/c1-9(2)6-10-4-5-12-11(7-10)8-14(3)13(12)15;1-9(2)6-13-11-4-5-12(13)8-10(3)7-11;1-8(2)5-9-3-4-11-10(6-9)7-12(14)13-11;1-8(2)6-9-4-3-5-11-10(9)7-12-13-11;1-8(2)6-9-4-5-12-10(7-9)11(13)14-3;1-9(2)7-11-6-5-10(3)12(4)8-11;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-8(2)6-10-5-4-9(3)11-7-10;1-8(2)6-10-5-4-9(3)7-11-10;2*1-9(2)8-10-6-4-3-5-7-10;1-7(2)5-9-6-8(10)3-4-11-9;1-7(2)5-8-3-4-10-9(11)6-8;1-7(2)6-8-4-3-5-10-9(8)11;1-8(2)5-6-9-4-3-7-10-9;1-7(2)6-8-9-4-3-5-10-8;1-7(2)9-5-3-4-8(10)6-9;1-7(2)8-3-5-9-6-4-8;1-6(2)5-7-8-3-4-9-7/h4-5,7,9H,6,8H2,1-3H3;9-13H,4-8H2,1-3H3;3-4,6,8H,5,7H2,1-2H3,(H,13,14);3-5,7-8H,6H2,1-2H3,(H,12,13);4-5,7-8H,6H2,1-3H3;5-6,8-9H,3,7H2,1-2,4H3;3-4,6,8H,5,7H2,1-2H3;2*4-5,7-8H,6H2,1-3H3;9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-4,6-7H,5H2,1-2H3,(H,10,11);3-5,7H,6H2,1-2H3,(H,10,11);8-10H,3-7H2,1-2H3;3-5,7H,6H2,1-2H3;7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3-4,6H,5H2,1-2H3/t;10?,11-,12+,13?;;;;;;;;;;;;;9-;;;;/m..............0..../s1
InChIKeyUXPCZZMWHWEEPB-MWADDCRUSA-N
XLogP44.09
TPSA327.68 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds37
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003002.04
LogP ≤ 544.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;(1R,5S)-3-methyl-8-(2-methylpropyl)bicyclo[3.2.1]octane;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;4-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol with MolForge

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Launch Full Analysis

Related Compounds

N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylimidazol-4-yl)pyrazin-2-yl]-2-(2-oxopiperidin-1-yl)acetamide;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(2-oxo-1-pyridinyl)pyrazin-2-yl]-2-(3-hydroxypyrrolidin-1-yl)acetamide;N-[3-amino-5-(5-methyl-1,3-thiazol-2-yl)-6-(1-oxo-2H-isoquinolin-6-yl)pyrazin-2-yl]-4-(methylamino)benzamide;ethyl 4-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-2-oxoethyl]benzoate
CID 160212040
4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;3-(2-methylpropyl)cyclohexa-2,4-dien-1-one;2-methylpropylcyclohexane;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-3-ol
CID 167626139
4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;3-(2-methylpropyl)cyclohexa-2,4-dien-1-one;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-3-ol
CID 167677591
4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine
CID 167687400

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;(1R,5S)-3-methyl-8-(2-methylpropyl)bicyclo[3.2.1]octane;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;4-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol?
The IUPAC name of 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;(1R,5S)-3-methyl-8-(2-methylpropyl)bicyclo[3.2.1]octane;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;4-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol (CID 167676688) is 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;(1R,5S)-3-methyl-8-(2-methylpropyl)bicyclo[3.2.1]octane;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;4-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol.
What is the SMILES notation for 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;(1R,5S)-3-methyl-8-(2-methylpropyl)bicyclo[3.2.1]octane;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;4-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol?
The canonical SMILES for 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;(1R,5S)-3-methyl-8-(2-methylpropyl)bicyclo[3.2.1]octane;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;4-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol is C=C1C=CC(CC(C)C)=CN1C.CC(C)CC1CCCCC1.CC(C)CC1[C@@H]2CC[C@H]1CC(C)C2.CC(C)CC[C@@H]1CCCN1.CC(C)Cc1cc(Cl)ccn1.CC(C)Cc1cc[nH]c(=O)c1.CC(C)Cc1ccc2c(c1)CC(=O)N2.CC(C)Cc1ccc2c(c1)CN(C)C2=O.CC(C)Cc1ccc[nH]c1=O.CC(C)Cc1cccc2[nH]ncc12.CC(C)Cc1ccccc1.CC(C)Cc1ncccn1.CC(C)Cc1nccs1.CC(C)N1CCCC(O)C1.CC(C)N1CCOCC1.CC(C)N1CCc2cccnc21.COC(=O)c1cc(CC(C)C)ccn1.Cc1ccc(CC(C)C)cn1.Cc1ccc(CC(C)C)nc1.
What is the InChIKey of 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;(1R,5S)-3-methyl-8-(2-methylpropyl)bicyclo[3.2.1]octane;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;4-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol?
The InChIKey is UXPCZZMWHWEEPB-MWADDCRUSA-N. The full InChI is InChI=1S/C13H17NO.C13H24.C12H15NO.C11H14N2.C11H15NO2.C11H17N.C10H14N2.2C10H15N.C10H20.C10H14.C9H12ClN.2C9H13NO.C9H19N.C8H12N2.C8H17NO.C7H15NO.C7H11NS/c1-9(2)6-10-4-5-12-11(7-10)8-14(3)13(12)15;1-9(2)6-13-11-4-5-12(13)8-10(3)7-11;1-8(2)5-9-3-4-11-10(6-9)7-12(14)13-11;1-8(2)6-9-4-3-5-11-10(9)7-12-13-11;1-8(2)6-9-4-5-12-10(7-9)11(13)14-3;1-9(2)7-11-6-5-10(3)12(4)8-11;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-8(2)6-10-5-4-9(3)11-7-10;1-8(2)6-10-5-4-9(3)7-11-10;2*1-9(2)8-10-6-4-3-5-7-10;1-7(2)5-9-6-8(10)3-4-11-9;1-7(2)5-8-3-4-10-9(11)6-8;1-7(2)6-8-4-3-5-10-9(8)11;1-8(2)5-6-9-4-3-7-10-9;1-7(2)6-8-9-4-3-5-10-8;1-7(2)9-5-3-4-8(10)6-9;1-7(2)8-3-5-9-6-4-8;1-6(2)5-7-8-3-4-9-7/h4-5,7,9H,6,8H2,1-3H3;9-13H,4-8H2,1-3H3;3-4,6,8H,5,7H2,1-2H3,(H,13,14);3-5,7-8H,6H2,1-2H3,(H,12,13);4-5,7-8H,6H2,1-3H3;5-6,8-9H,3,7H2,1-2,4H3;3-4,6,8H,5,7H2,1-2H3;2*4-5,7-8H,6H2,1-3H3;9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-4,6-7H,5H2,1-2H3,(H,10,11);3-5,7H,6H2,1-2H3,(H,10,11);8-10H,3-7H2,1-2H3;3-5,7H,6H2,1-2H3;7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3-4,6H,5H2,1-2H3/t;10?,11-,12+,13?;;;;;;;;;;;;;9-;;;;/m..............0..../s1.
What are the key properties of 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;(1R,5S)-3-methyl-8-(2-methylpropyl)bicyclo[3.2.1]octane;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;4-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol?
4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;(1R,5S)-3-methyl-8-(2-methylpropyl)bicyclo[3.2.1]octane;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;4-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol has a molecular weight of 3002.04 g/mol, XLogP of 44.09, 37 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;(1R,5S)-3-methyl-8-(2-methylpropyl)bicyclo[3.2.1]octane;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;4-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol is sourced from PubChem (CID 167676688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).