3-methylbutan-1-ol;2-methylidene-4-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylazetidine;2-methyl-5-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylpyrrole;3-(2-methylpropyl)-1,2-oxazole;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcyclopentane;2-propan-2-yl-4H-imidazole;2-propan-2-yloxolane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-triazole

C144H256N22O3 — CID 159774235

IUPAC3-methylbutan-1-ol;2-methylidene-4-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylazetidine;2-methyl-5-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylpyrrole;3-(2-methylpropyl)-1,2-oxazole;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcyclopentane;2-propan-2-yl-4H-imidazole;2-propan-2-yloxolane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-triazole
SMILESC=C1CC(C(C)C)CN1.CC(C)C1=CCN=C1.CC(C)C1=NCC=N1.CC(C)C1CCCC1.CC(C)C1CCCNC1.CC(C)C1CCCO1.CC(C)C1CCNCC1.CC(C)C1CN(C)C1.CC(C)C1CNC1.CC(C)CC1CCCN1.CC(C)CCO.CC(C)Cc1ccon1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccn1C.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cn[nH]n1.CC(C)c1ncccn1.Cc1ncc(C(C)C)[nH]1
InChIInChI=1S/C8H15N.C8H13N.C8H17N.C8H11N.C8H17N.C8H11N.C8H17N.2C8H11N.C8H16.C7H12N2.C7H10N2.C7H11NO.C7H15N.C7H11N.C7H14O.C6H10N2.C6H13N.C5H9N3.C5H12O/c1-6(2)8-4-7(3)9-5-8;1-7(2)8-5-4-6-9(8)3;2*1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;1-7(2)6-8-4-3-5-9-8;2*1-7(2)8-5-3-4-6-9-8;1-7(2)8-5-3-4-6-8;1-5(2)7-4-8-6(3)9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)5-7-3-4-9-8-7;1-6(2)7-4-8(3)5-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-6;1-4(2)5-3-6-8-7-5;1-5(2)3-4-6/h6,8-9H,3-5H2,1-2H3;4-7H,1-3H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;7-9H,3-6H2,1-2H3;2*3-7H,1-2H3;7-8H,3-6H2,1-2H3;4-5H,1-3H3,(H,8,9);3-6H,1-2H3;3-4,6H,5H2,1-2H3;6-7H,4-5H2,1-3H3;3,5-6H,4H2,1-2H3;6-7H,3-5H2,1-2H3;3,5H,4H2,1-2H3;5-7H,3-4H2,1-2H3;3-4H,1-2H3,(H,6,7,8);5-6H,3-4H2,1-2H3
InChIKeyNGNGKQWHANFCSK-UHFFFAOYSA-N
MW2343.78 g/mol
LogP34.57
Rot. Bonds23

About 3-methylbutan-1-ol;2-methylidene-4-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylazetidine;2-methyl-5-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylpyrrole;3-(2-methylpropyl)-1,2-oxazole;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcyclopentane;2-propan-2-yl-4H-imidazole;2-propan-2-yloxolane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-triazole

3-methylbutan-1-ol;2-methylidene-4-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylazetidine;2-methyl-5-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylpyrrole;3-(2-methylpropyl)-1,2-oxazole;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcyclopentane;2-propan-2-yl-4H-imidazole;2-propan-2-yloxolane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-triazole (PubChem CID 159774235) has the molecular formula C144H256N22O3 and a molecular weight of 2343.78 g/mol. Its IUPAC name is 3-methylbutan-1-ol;2-methylidene-4-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylazetidine;2-methyl-5-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylpyrrole;3-(2-methylpropyl)-1,2-oxazole;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcyclopentane;2-propan-2-yl-4H-imidazole;2-propan-2-yloxolane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-triazole.

Molecular Properties

Compound Name3-methylbutan-1-ol;2-methylidene-4-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylazetidine;2-methyl-5-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylpyrrole;3-(2-methylpropyl)-1,2-oxazole;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcyclopentane;2-propan-2-yl-4H-imidazole;2-propan-2-yloxolane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-triazole
PubChem CID159774235
Molecular FormulaC144H256N22O3
Molecular Weight2343.78 g/mol
Exact Mass2342.06
IUPAC Name3-methylbutan-1-ol;2-methylidene-4-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylazetidine;2-methyl-5-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylpyrrole;3-(2-methylpropyl)-1,2-oxazole;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcyclopentane;2-propan-2-yl-4H-imidazole;2-propan-2-yloxolane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-triazole
SMILESC=C1CC(C(C)C)CN1.CC(C)C1=CCN=C1.CC(C)C1=NCC=N1.CC(C)C1CCCC1.CC(C)C1CCCNC1.CC(C)C1CCCO1.CC(C)C1CCNCC1.CC(C)C1CN(C)C1.CC(C)C1CNC1.CC(C)CC1CCCN1.CC(C)CCO.CC(C)Cc1ccon1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccn1C.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cn[nH]n1.CC(C)c1ncccn1.Cc1ncc(C(C)C)[nH]1
InChIInChI=1S/C8H15N.C8H13N.C8H17N.C8H11N.C8H17N.C8H11N.C8H17N.2C8H11N.C8H16.C7H12N2.C7H10N2.C7H11NO.C7H15N.C7H11N.C7H14O.C6H10N2.C6H13N.C5H9N3.C5H12O/c1-6(2)8-4-7(3)9-5-8;1-7(2)8-5-4-6-9(8)3;2*1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;1-7(2)6-8-4-3-5-9-8;2*1-7(2)8-5-3-4-6-9-8;1-7(2)8-5-3-4-6-8;1-5(2)7-4-8-6(3)9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)5-7-3-4-9-8-7;1-6(2)7-4-8(3)5-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-6;1-4(2)5-3-6-8-7-5;1-5(2)3-4-6/h6,8-9H,3-5H2,1-2H3;4-7H,1-3H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;7-9H,3-6H2,1-2H3;2*3-7H,1-2H3;7-8H,3-6H2,1-2H3;4-5H,1-3H3,(H,8,9);3-6H,1-2H3;3-4,6H,5H2,1-2H3;6-7H,4-5H2,1-3H3;3,5-6H,4H2,1-2H3;6-7H,3-5H2,1-2H3;3,5H,4H2,1-2H3;5-7H,3-4H2,1-2H3;3-4H,1-2H3,(H,6,7,8);5-6H,3-4H2,1-2H3
InChIKeyNGNGKQWHANFCSK-UHFFFAOYSA-N
XLogP34.57
TPSA308.48 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds23
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002343.78
LogP ≤ 534.57
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Analyze 3-methylbutan-1-ol;2-methylidene-4-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylazetidine;2-methyl-5-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylpyrrole;3-(2-methylpropyl)-1,2-oxazole;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcyclopentane;2-propan-2-yl-4H-imidazole;2-propan-2-yloxolane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-triazole with MolForge

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Related Compounds

3,5-diethyl-4-propan-2-yl-1H-pyrazole;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine
CID 167636690
1-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazole;4-tert-butyl-2H-pyrrole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1H-1,2,4-triazole;2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
CID 157569318
5-benzyl-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;3-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;N-butyl-2-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-[[2-methyl-5-(2-methylpropyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol;2-[[2-methyl-5-(pyridazin-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 158534510
2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyridine;4-(azetidin-1-ylmethyl)-2-propan-2-ylpyridine;5-(azetidin-1-ylmethyl)-2-propan-2-ylpyridine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;2-(azetidin-1-yl)-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine
CID 158673998
2-tert-butylfuran;bis(5-tert-butyl-1H-imidazole);4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methyltetrazole);5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidine
CID 159002805
2-tert-butylfuran;bis(5-tert-butyl-1H-imidazole);4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyltetrazole;4-tert-butyl-1-methyltriazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidine
CID 159030602
5-tert-butyl-1,2-dimethylimidazole;2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);5-tert-butyl-2-methyl-3H-pyrrole
CID 159107597
2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyridine;4-(azetidin-1-ylmethyl)-2-propan-2-ylpyridine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-6-propan-2-ylpyridine;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 159314892
3-methylbutan-1-ol;2-methylidene-4-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylazetidine;2-methyl-5-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylpyrrole;3-(2-methylpropyl)-1,2-oxazole;2-(2-methylpropyl)pyrrolidine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;2-propan-2-yl-4H-imidazole;2-propan-2-yloxolane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-triazole
CID 159394486
2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyridine;4-(azetidin-1-ylmethyl)-2-propan-2-ylpyridine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-6-propan-2-ylpyridine;1,3-dimethyl-5-propan-2-ylpyrazole;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 159462448
4,5-dimethyl-1H-imidazole;3,4-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1H-pyrazole);3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethylpyrimidine;ethane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole
CID 160580345
CID 161049827
CID 161049827

Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-1-ol;2-methylidene-4-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylazetidine;2-methyl-5-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylpyrrole;3-(2-methylpropyl)-1,2-oxazole;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcyclopentane;2-propan-2-yl-4H-imidazole;2-propan-2-yloxolane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-triazole?
The IUPAC name of 3-methylbutan-1-ol;2-methylidene-4-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylazetidine;2-methyl-5-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylpyrrole;3-(2-methylpropyl)-1,2-oxazole;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcyclopentane;2-propan-2-yl-4H-imidazole;2-propan-2-yloxolane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-triazole (CID 159774235) is 3-methylbutan-1-ol;2-methylidene-4-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylazetidine;2-methyl-5-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylpyrrole;3-(2-methylpropyl)-1,2-oxazole;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcyclopentane;2-propan-2-yl-4H-imidazole;2-propan-2-yloxolane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-triazole.
What is the SMILES notation for 3-methylbutan-1-ol;2-methylidene-4-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylazetidine;2-methyl-5-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylpyrrole;3-(2-methylpropyl)-1,2-oxazole;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcyclopentane;2-propan-2-yl-4H-imidazole;2-propan-2-yloxolane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-triazole?
The canonical SMILES for 3-methylbutan-1-ol;2-methylidene-4-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylazetidine;2-methyl-5-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylpyrrole;3-(2-methylpropyl)-1,2-oxazole;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcyclopentane;2-propan-2-yl-4H-imidazole;2-propan-2-yloxolane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-triazole is C=C1CC(C(C)C)CN1.CC(C)C1=CCN=C1.CC(C)C1=NCC=N1.CC(C)C1CCCC1.CC(C)C1CCCNC1.CC(C)C1CCCO1.CC(C)C1CCNCC1.CC(C)C1CN(C)C1.CC(C)C1CNC1.CC(C)CC1CCCN1.CC(C)CCO.CC(C)Cc1ccon1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccn1C.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cn[nH]n1.CC(C)c1ncccn1.Cc1ncc(C(C)C)[nH]1.
What is the InChIKey of 3-methylbutan-1-ol;2-methylidene-4-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylazetidine;2-methyl-5-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylpyrrole;3-(2-methylpropyl)-1,2-oxazole;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcyclopentane;2-propan-2-yl-4H-imidazole;2-propan-2-yloxolane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-triazole?
The InChIKey is NGNGKQWHANFCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C8H13N.C8H17N.C8H11N.C8H17N.C8H11N.C8H17N.2C8H11N.C8H16.C7H12N2.C7H10N2.C7H11NO.C7H15N.C7H11N.C7H14O.C6H10N2.C6H13N.C5H9N3.C5H12O/c1-6(2)8-4-7(3)9-5-8;1-7(2)8-5-4-6-9(8)3;2*1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;1-7(2)6-8-4-3-5-9-8;2*1-7(2)8-5-3-4-6-9-8;1-7(2)8-5-3-4-6-8;1-5(2)7-4-8-6(3)9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)5-7-3-4-9-8-7;1-6(2)7-4-8(3)5-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-6;1-4(2)5-3-6-8-7-5;1-5(2)3-4-6/h6,8-9H,3-5H2,1-2H3;4-7H,1-3H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;7-9H,3-6H2,1-2H3;2*3-7H,1-2H3;7-8H,3-6H2,1-2H3;4-5H,1-3H3,(H,8,9);3-6H,1-2H3;3-4,6H,5H2,1-2H3;6-7H,4-5H2,1-3H3;3,5-6H,4H2,1-2H3;6-7H,3-5H2,1-2H3;3,5H,4H2,1-2H3;5-7H,3-4H2,1-2H3;3-4H,1-2H3,(H,6,7,8);5-6H,3-4H2,1-2H3.
What are the key properties of 3-methylbutan-1-ol;2-methylidene-4-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylazetidine;2-methyl-5-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylpyrrole;3-(2-methylpropyl)-1,2-oxazole;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcyclopentane;2-propan-2-yl-4H-imidazole;2-propan-2-yloxolane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-triazole?
3-methylbutan-1-ol;2-methylidene-4-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylazetidine;2-methyl-5-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylpyrrole;3-(2-methylpropyl)-1,2-oxazole;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcyclopentane;2-propan-2-yl-4H-imidazole;2-propan-2-yloxolane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-triazole has a molecular weight of 2343.78 g/mol, XLogP of 34.57, 23 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-1-ol;2-methylidene-4-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylazetidine;2-methyl-5-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylpyrrole;3-(2-methylpropyl)-1,2-oxazole;2-(2-methylpropyl)pyrrolidine;3-propan-2-ylazetidine;propan-2-ylcyclopentane;2-propan-2-yl-4H-imidazole;2-propan-2-yloxolane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-triazole is sourced from PubChem (CID 159774235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).