ethane;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(3S)-1-methyl-3-propan-2-ylpyrrolidine;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;(3R)-3-propan-2-ylpiperidine;(3S)-3-propan-2-ylpiperidine;4-propan-2-ylpyridine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;N,N,3-trimethylbutan-1-amine

C186H362N24O2 — CID 160521422

IUPACethane;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(3S)-1-methyl-3-propan-2-ylpyrrolidine;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;(3R)-3-propan-2-ylpiperidine;(3S)-3-propan-2-ylpiperidine;4-propan-2-ylpyridine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;N,N,3-trimethylbutan-1-amine
SMILESCC.CC.CC(C)CC1=NCCN1.CC(C)CC1CCCC1.CC(C)CC1CCCC1.CC(C)CCN(C)C.CC(C)CCN1CCCC1.CC(C)CCc1cnc[nH]1.CC(C)CCc1ncc[nH]1.CC(C)C[C@@H]1CCCOC1.CC(C)C[C@@H]1CCN1.CC(C)C[C@@H]1CNCCO1.CC(C)C[C@H]1CCN1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)Cc1cnc[nH]1.CC(C)Cc1ncc[nH]1.CC(C)[C@@H]1CCCNC1.CC(C)[C@@H]1CCN(C)C1.CC(C)[C@@H]1CCNC1.CC(C)[C@H]1CCCNC1.CC(C)[C@H]1CCNC1.CC(C)c1ccncc1.CCCCC(C)C
InChIInChI=1S/C9H13N.C9H19N.2C9H13N.C9H18O.2C9H18.2C8H14N2.C8H17NO.C8H17N.C8H11N.2C8H17N.C7H12N2.C7H14N2.C7H12N2.4C7H15N.C7H17N.C7H16.2C2H6/c1-8(2)7-9-3-5-10-6-4-9;1-9(2)5-8-10-6-3-4-7-10;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-8(2)6-9-4-3-5-10-7-9;2*1-8(2)7-9-5-3-4-6-9;1-7(2)3-4-8-5-9-6-10-8;1-7(2)3-4-8-9-5-6-10-8;1-7(2)5-8-6-9-3-4-10-8;1-7(2)8-4-5-9(3)6-8;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;1-6(2)3-7-4-8-5-9-7;2*1-6(2)5-7-8-3-4-9-7;2*1-6(2)7-3-4-8-5-7;2*1-6(2)5-7-3-4-8-7;1-7(2)5-6-8(3)4;1-4-5-6-7(2)3;2*1-2/h3-6,8H,7H2,1-2H3;9H,3-8H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;8-9H,3-7H2,1-2H3;2*8-9H,3-7H2,1-2H3;2*5-7H,3-4H2,1-2H3,(H,9,10);7-9H,3-6H2,1-2H3;7-8H,4-6H2,1-3H3;3-7H,1-2H3;2*7-9H,3-6H2,1-2H3;4-6H,3H2,1-2H3,(H,8,9);6H,3-5H2,1-2H3,(H,8,9);3-4,6H,5H2,1-2H3,(H,8,9);4*6-8H,3-5H2,1-2H3;7H,5-6H2,1-4H3;7H,4-6H2,1-3H3;2*1-2H3/t;;;;9-;;;;;2*8-;;2*8-;;;;4*7-;;;;/m....0....11.10...1010..../s1
InChIKeyQUHYZOPVJKSZCS-XCHQLPHBSA-N
MW2967.11 g/mol
LogP46.00
Rot. Bonds45

About ethane;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(3S)-1-methyl-3-propan-2-ylpyrrolidine;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;(3R)-3-propan-2-ylpiperidine;(3S)-3-propan-2-ylpiperidine;4-propan-2-ylpyridine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;N,N,3-trimethylbutan-1-amine

ethane;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(3S)-1-methyl-3-propan-2-ylpyrrolidine;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;(3R)-3-propan-2-ylpiperidine;(3S)-3-propan-2-ylpiperidine;4-propan-2-ylpyridine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;N,N,3-trimethylbutan-1-amine (PubChem CID 160521422) has the molecular formula C186H362N24O2 and a molecular weight of 2967.11 g/mol. Its IUPAC name is ethane;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(3S)-1-methyl-3-propan-2-ylpyrrolidine;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;(3R)-3-propan-2-ylpiperidine;(3S)-3-propan-2-ylpiperidine;4-propan-2-ylpyridine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;N,N,3-trimethylbutan-1-amine.

Molecular Properties

Compound Nameethane;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(3S)-1-methyl-3-propan-2-ylpyrrolidine;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;(3R)-3-propan-2-ylpiperidine;(3S)-3-propan-2-ylpiperidine;4-propan-2-ylpyridine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;N,N,3-trimethylbutan-1-amine
PubChem CID160521422
Molecular FormulaC186H362N24O2
Molecular Weight2967.11 g/mol
Exact Mass2964.90
IUPAC Nameethane;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(3S)-1-methyl-3-propan-2-ylpyrrolidine;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;(3R)-3-propan-2-ylpiperidine;(3S)-3-propan-2-ylpiperidine;4-propan-2-ylpyridine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;N,N,3-trimethylbutan-1-amine
SMILESCC.CC.CC(C)CC1=NCCN1.CC(C)CC1CCCC1.CC(C)CC1CCCC1.CC(C)CCN(C)C.CC(C)CCN1CCCC1.CC(C)CCc1cnc[nH]1.CC(C)CCc1ncc[nH]1.CC(C)C[C@@H]1CCCOC1.CC(C)C[C@@H]1CCN1.CC(C)C[C@@H]1CNCCO1.CC(C)C[C@H]1CCN1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)Cc1cnc[nH]1.CC(C)Cc1ncc[nH]1.CC(C)[C@@H]1CCCNC1.CC(C)[C@@H]1CCN(C)C1.CC(C)[C@@H]1CCNC1.CC(C)[C@H]1CCCNC1.CC(C)[C@H]1CCNC1.CC(C)c1ccncc1.CCCCC(C)C
InChIInChI=1S/C9H13N.C9H19N.2C9H13N.C9H18O.2C9H18.2C8H14N2.C8H17NO.C8H17N.C8H11N.2C8H17N.C7H12N2.C7H14N2.C7H12N2.4C7H15N.C7H17N.C7H16.2C2H6/c1-8(2)7-9-3-5-10-6-4-9;1-9(2)5-8-10-6-3-4-7-10;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-8(2)6-9-4-3-5-10-7-9;2*1-8(2)7-9-5-3-4-6-9;1-7(2)3-4-8-5-9-6-10-8;1-7(2)3-4-8-9-5-6-10-8;1-7(2)5-8-6-9-3-4-10-8;1-7(2)8-4-5-9(3)6-8;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;1-6(2)3-7-4-8-5-9-7;2*1-6(2)5-7-8-3-4-9-7;2*1-6(2)7-3-4-8-5-7;2*1-6(2)5-7-3-4-8-7;1-7(2)5-6-8(3)4;1-4-5-6-7(2)3;2*1-2/h3-6,8H,7H2,1-2H3;9H,3-8H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;8-9H,3-7H2,1-2H3;2*8-9H,3-7H2,1-2H3;2*5-7H,3-4H2,1-2H3,(H,9,10);7-9H,3-6H2,1-2H3;7-8H,4-6H2,1-3H3;3-7H,1-2H3;2*7-9H,3-6H2,1-2H3;4-6H,3H2,1-2H3,(H,8,9);6H,3-5H2,1-2H3,(H,8,9);3-4,6H,5H2,1-2H3,(H,8,9);4*6-8H,3-5H2,1-2H3;7H,5-6H2,1-4H3;7H,4-6H2,1-3H3;2*1-2H3/t;;;;9-;;;;;2*8-;;2*8-;;;;4*7-;;;;/m....0....11.10...1010..../s1
InChIKeyQUHYZOPVJKSZCS-XCHQLPHBSA-N
XLogP46.00
TPSA303.06 Ų
H-Bond Donors12
H-Bond Acceptors22
Rotatable Bonds45
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002967.11
LogP ≤ 546.00
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1022

Analyze ethane;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(3S)-1-methyl-3-propan-2-ylpyrrolidine;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;(3R)-3-propan-2-ylpiperidine;(3S)-3-propan-2-ylpiperidine;4-propan-2-ylpyridine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;N,N,3-trimethylbutan-1-amine with MolForge

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Related Compounds

5-(1-Cyclopentyl-2-propan-2-ylimidazol-4-yl)-2-methyl-3-(trifluoromethyl)pyridine;5-[1-(3,3-difluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine;2-methyl-5-[1-[1-(oxetan-3-yl)azetidin-3-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;2-methyl-5-[1-(oxetan-3-yl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;2-methyl-5-[2-propan-2-yl-1-(pyridin-2-ylmethyl)imidazol-4-yl]-3-(trifluoromethyl)pyridine;2-methyl-5-[2-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-4-yl]-3-(trifluoromethyl)pyridine;6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-2-(oxetan-3-yl)-2-azaspiro[3.3]heptane
CID 158481243
5-(1-cyclobutyl-2-propan-2-ylimidazol-4-yl)-2-methyl-3-(trifluoromethyl)pyridine;5-(2-cyclopropyl-1-propan-2-ylimidazol-4-yl)-2-methyl-3-(trifluoromethyl)pyridine;5-(1,2-dicyclopropylimidazol-4-yl)-2-methyl-3-(trifluoromethyl)pyridine;2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;(1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane
CID 160363746
5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopropylimidazol-4-yl]-3-methylpyridin-2-amine;bis(5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane
CID 160777806
(1R,5S)-6-[2-cyclopentyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;bis(5-[2-cyclopentyl-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;5-[2-cyclopropyl-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine
CID 161193733
(Cryptand-222)potassium (2-methylimidazolato)(meso-tetraphenylporphinato)ferrate(II)-2-methylimidazole-tetrahydrofuran (1/1/2)
CID 139062533
CID 157113302
CID 157113302
4-tert-butylmorpholine;N,N-diethyl-5-methylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyrazin-2-amine;N-ethyl-N,5-dimethylpyrazin-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;5-propan-2-ylpyrazin-2-amine;4-(5-propan-2-ylpyrazin-2-yl)morpholine;2-propan-2-yl-5-pyrrolidin-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine
CID 157378633
N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3R)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3S)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);3-(6-propan-2-yl-3-pyridinyl)cyclobutan-1-ol;1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3R)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3S)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine
CID 157389332
1-benzyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)cyclohexene;5,6-di(propan-2-yl)-3,4-dihydro-2H-1,4-oxazine;4,5-di(propan-2-yl)-1H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;2,3-di(propan-2-yl)-1H-pyrrole;5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridine;3,4-di(propan-2-yl)-1,2,5-thiadiazole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydro-1,4-oxazine;1-methyl-2,3-di(propan-2-yl)pyrrole
CID 157408553
1-[[4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]amino]propan-2-ol;(2S)-1-[[4-[(1R,7S)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]amino]propan-2-ol;(2S)-1-[[4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]amino]propan-2-ol
CID 157436254
4-(2-aminopyrimidin-5-yl)-N,N-diethyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-2-amine;5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(1S,4R)-2-ethyl-2-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyrimidin-2-amine;5-[2-(3-fluoro-3-methylazetidin-1-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyrimidin-2-amine;5-[2-(4-methylpiperazin-1-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyrimidin-2-amine
CID 157549681
N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3R)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3S)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine
CID 157665787

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(3S)-1-methyl-3-propan-2-ylpyrrolidine;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;(3R)-3-propan-2-ylpiperidine;(3S)-3-propan-2-ylpiperidine;4-propan-2-ylpyridine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;N,N,3-trimethylbutan-1-amine?
The IUPAC name of ethane;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(3S)-1-methyl-3-propan-2-ylpyrrolidine;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;(3R)-3-propan-2-ylpiperidine;(3S)-3-propan-2-ylpiperidine;4-propan-2-ylpyridine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;N,N,3-trimethylbutan-1-amine (CID 160521422) is ethane;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(3S)-1-methyl-3-propan-2-ylpyrrolidine;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;(3R)-3-propan-2-ylpiperidine;(3S)-3-propan-2-ylpiperidine;4-propan-2-ylpyridine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;N,N,3-trimethylbutan-1-amine.
What is the SMILES notation for ethane;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(3S)-1-methyl-3-propan-2-ylpyrrolidine;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;(3R)-3-propan-2-ylpiperidine;(3S)-3-propan-2-ylpiperidine;4-propan-2-ylpyridine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;N,N,3-trimethylbutan-1-amine?
The canonical SMILES for ethane;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(3S)-1-methyl-3-propan-2-ylpyrrolidine;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;(3R)-3-propan-2-ylpiperidine;(3S)-3-propan-2-ylpiperidine;4-propan-2-ylpyridine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;N,N,3-trimethylbutan-1-amine is CC.CC.CC(C)CC1=NCCN1.CC(C)CC1CCCC1.CC(C)CC1CCCC1.CC(C)CCN(C)C.CC(C)CCN1CCCC1.CC(C)CCc1cnc[nH]1.CC(C)CCc1ncc[nH]1.CC(C)C[C@@H]1CCCOC1.CC(C)C[C@@H]1CCN1.CC(C)C[C@@H]1CNCCO1.CC(C)C[C@H]1CCN1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)Cc1cnc[nH]1.CC(C)Cc1ncc[nH]1.CC(C)[C@@H]1CCCNC1.CC(C)[C@@H]1CCN(C)C1.CC(C)[C@@H]1CCNC1.CC(C)[C@H]1CCCNC1.CC(C)[C@H]1CCNC1.CC(C)c1ccncc1.CCCCC(C)C.
What is the InChIKey of ethane;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(3S)-1-methyl-3-propan-2-ylpyrrolidine;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;(3R)-3-propan-2-ylpiperidine;(3S)-3-propan-2-ylpiperidine;4-propan-2-ylpyridine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;N,N,3-trimethylbutan-1-amine?
The InChIKey is QUHYZOPVJKSZCS-XCHQLPHBSA-N. The full InChI is InChI=1S/C9H13N.C9H19N.2C9H13N.C9H18O.2C9H18.2C8H14N2.C8H17NO.C8H17N.C8H11N.2C8H17N.C7H12N2.C7H14N2.C7H12N2.4C7H15N.C7H17N.C7H16.2C2H6/c1-8(2)7-9-3-5-10-6-4-9;1-9(2)5-8-10-6-3-4-7-10;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-8(2)6-9-4-3-5-10-7-9;2*1-8(2)7-9-5-3-4-6-9;1-7(2)3-4-8-5-9-6-10-8;1-7(2)3-4-8-9-5-6-10-8;1-7(2)5-8-6-9-3-4-10-8;1-7(2)8-4-5-9(3)6-8;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;1-6(2)3-7-4-8-5-9-7;2*1-6(2)5-7-8-3-4-9-7;2*1-6(2)7-3-4-8-5-7;2*1-6(2)5-7-3-4-8-7;1-7(2)5-6-8(3)4;1-4-5-6-7(2)3;2*1-2/h3-6,8H,7H2,1-2H3;9H,3-8H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;8-9H,3-7H2,1-2H3;2*8-9H,3-7H2,1-2H3;2*5-7H,3-4H2,1-2H3,(H,9,10);7-9H,3-6H2,1-2H3;7-8H,4-6H2,1-3H3;3-7H,1-2H3;2*7-9H,3-6H2,1-2H3;4-6H,3H2,1-2H3,(H,8,9);6H,3-5H2,1-2H3,(H,8,9);3-4,6H,5H2,1-2H3,(H,8,9);4*6-8H,3-5H2,1-2H3;7H,5-6H2,1-4H3;7H,4-6H2,1-3H3;2*1-2H3/t;;;;9-;;;;;2*8-;;2*8-;;;;4*7-;;;;/m....0....11.10...1010..../s1.
What are the key properties of ethane;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(3S)-1-methyl-3-propan-2-ylpyrrolidine;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;(3R)-3-propan-2-ylpiperidine;(3S)-3-propan-2-ylpiperidine;4-propan-2-ylpyridine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;N,N,3-trimethylbutan-1-amine?
ethane;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(3S)-1-methyl-3-propan-2-ylpyrrolidine;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;(3R)-3-propan-2-ylpiperidine;(3S)-3-propan-2-ylpiperidine;4-propan-2-ylpyridine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;N,N,3-trimethylbutan-1-amine has a molecular weight of 2967.11 g/mol, XLogP of 46.00, 45 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(3S)-1-methyl-3-propan-2-ylpyrrolidine;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;(3R)-3-propan-2-ylpiperidine;(3S)-3-propan-2-ylpiperidine;4-propan-2-ylpyridine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;N,N,3-trimethylbutan-1-amine is sourced from PubChem (CID 160521422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).