1-(azetidin-3-yl)-2-methylpropan-1-ol;2-cyclopropyl-3-methylbutan-2-ol;1-(2,3-dimethylbutan-2-yl)imidazole;2-(2,3-dimethylbutan-2-yl)-1H-imidazole;N-(2,3-dimethylbutan-2-yl)-1-methylazetidin-3-amine;3-(2,3-dimethylbutan-2-yl)-2-methylidene-1,3-oxazolidine;4-(2,3-dimethylbutan-2-yl)-5-methylidene-1H-1,2,4-triazole;1-(2,3-dimethylbutan-2-yl)-2-methylimidazole;1-(2,3-dimethylbutan-2-yl)-4-methylpiperazine;2,3-dimethyl-1-pyrazol-1-ylbutan-2-ol;2-(furan-2-yl)-3-methylbutan-2-ol;methane;(1R)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;(1S)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;bis(1-methyl-4-(2-methylpropyl)piperazine);3-methyl-2-phenylbutan-2-ol;4-(2-methylpropyl)morpholine

C157H306N26O10 — CID 158166687

IUPAC1-(azetidin-3-yl)-2-methylpropan-1-ol;2-cyclopropyl-3-methylbutan-2-ol;1-(2,3-dimethylbutan-2-yl)imidazole;2-(2,3-dimethylbutan-2-yl)-1H-imidazole;N-(2,3-dimethylbutan-2-yl)-1-methylazetidin-3-amine;3-(2,3-dimethylbutan-2-yl)-2-methylidene-1,3-oxazolidine;4-(2,3-dimethylbutan-2-yl)-5-methylidene-1H-1,2,4-triazole;1-(2,3-dimethylbutan-2-yl)-2-methylimidazole;1-(2,3-dimethylbutan-2-yl)-4-methylpiperazine;2,3-dimethyl-1-pyrazol-1-ylbutan-2-ol;2-(furan-2-yl)-3-methylbutan-2-ol;methane;(1R)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;(1S)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;bis(1-methyl-4-(2-methylpropyl)piperazine);3-methyl-2-phenylbutan-2-ol;4-(2-methylpropyl)morpholine
SMILESC.C.C.C=C1NN=CN1C(C)(C)C(C)C.C=C1OCCN1C(C)(C)C(C)C.CC(C)C(C)(C)N1CCN(C)CC1.CC(C)C(C)(C)NC1CN(C)C1.CC(C)C(C)(C)c1ncc[nH]1.CC(C)C(C)(C)n1ccnc1.CC(C)C(C)(O)C1CC1.CC(C)C(C)(O)Cn1cccn1.CC(C)C(C)(O)c1ccccc1.CC(C)C(C)(O)c1ccco1.CC(C)C(O)C1CNC1.CC(C)CN1CCN(C)CC1.CC(C)CN1CCN(C)CC1.CC(C)CN1CCOCC1.CC(C)[C@@H](O)c1cn(C)cn1.CC(C)[C@H](O)c1cn(C)cn1.Cc1nccn1C(C)(C)C(C)C
InChIInChI=1S/C11H24N2.C11H16O.C10H22N2.C10H18N2.C10H19NO.C9H17N3.C9H16N2O.2C9H16N2.2C9H20N2.C9H14O2.2C8H14N2O.C8H17NO.C8H16O.C7H15NO.3CH4/c1-10(2)11(3,4)13-8-6-12(5)7-9-13;1-9(2)11(3,12)10-7-5-4-6-8-10;1-8(2)10(3,4)11-9-6-12(5)7-9;1-8(2)10(4,5)12-7-6-11-9(12)3;1-8(2)10(4,5)11-6-7-12-9(11)3;1-7(2)9(4,5)12-6-10-11-8(12)3;1-8(2)9(3,12)7-11-6-4-5-10-11;1-8(2)9(3,4)11-6-5-10-7-11;1-7(2)9(3,4)8-10-5-6-11-8;2*1-9(2)8-11-6-4-10(3)5-7-11;1-7(2)9(3,10)8-5-4-6-11-8;2*1-6(2)8(11)7-4-10(3)5-9-7;1-8(2)7-9-3-5-10-6-4-9;1-6(2)8(3,9)7-4-5-7;1-5(2)7(9)6-3-8-4-6;;;/h10H,6-9H2,1-5H3;4-9,12H,1-3H3;8-9,11H,6-7H2,1-5H3;6-8H,1-5H3;8H,3,6-7H2,1-2,4-5H3;6-7,11H,3H2,1-2,4-5H3;4-6,8,12H,7H2,1-3H3;5-8H,1-4H3;5-7H,1-4H3,(H,10,11);2*9H,4-8H2,1-3H3;4-7,10H,1-3H3;2*4-6,8,11H,1-3H3;8H,3-7H2,1-2H3;6-7,9H,4-5H2,1-3H3;5-9H,3-4H2,1-2H3;3*1H4/t;;;;;;;;;;;;2*8-;;;;;;/m............10....../s1
InChIKeyFWXUWUKKXRAWCX-GGOCCNBCSA-N
MW2718.35 g/mol
LogP29.05
Rot. Bonds36

About 1-(azetidin-3-yl)-2-methylpropan-1-ol;2-cyclopropyl-3-methylbutan-2-ol;1-(2,3-dimethylbutan-2-yl)imidazole;2-(2,3-dimethylbutan-2-yl)-1H-imidazole;N-(2,3-dimethylbutan-2-yl)-1-methylazetidin-3-amine;3-(2,3-dimethylbutan-2-yl)-2-methylidene-1,3-oxazolidine;4-(2,3-dimethylbutan-2-yl)-5-methylidene-1H-1,2,4-triazole;1-(2,3-dimethylbutan-2-yl)-2-methylimidazole;1-(2,3-dimethylbutan-2-yl)-4-methylpiperazine;2,3-dimethyl-1-pyrazol-1-ylbutan-2-ol;2-(furan-2-yl)-3-methylbutan-2-ol;methane;(1R)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;(1S)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;bis(1-methyl-4-(2-methylpropyl)piperazine);3-methyl-2-phenylbutan-2-ol;4-(2-methylpropyl)morpholine

1-(azetidin-3-yl)-2-methylpropan-1-ol;2-cyclopropyl-3-methylbutan-2-ol;1-(2,3-dimethylbutan-2-yl)imidazole;2-(2,3-dimethylbutan-2-yl)-1H-imidazole;N-(2,3-dimethylbutan-2-yl)-1-methylazetidin-3-amine;3-(2,3-dimethylbutan-2-yl)-2-methylidene-1,3-oxazolidine;4-(2,3-dimethylbutan-2-yl)-5-methylidene-1H-1,2,4-triazole;1-(2,3-dimethylbutan-2-yl)-2-methylimidazole;1-(2,3-dimethylbutan-2-yl)-4-methylpiperazine;2,3-dimethyl-1-pyrazol-1-ylbutan-2-ol;2-(furan-2-yl)-3-methylbutan-2-ol;methane;(1R)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;(1S)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;bis(1-methyl-4-(2-methylpropyl)piperazine);3-methyl-2-phenylbutan-2-ol;4-(2-methylpropyl)morpholine (PubChem CID 158166687) has the molecular formula C157H306N26O10 and a molecular weight of 2718.35 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-2-methylpropan-1-ol;2-cyclopropyl-3-methylbutan-2-ol;1-(2,3-dimethylbutan-2-yl)imidazole;2-(2,3-dimethylbutan-2-yl)-1H-imidazole;N-(2,3-dimethylbutan-2-yl)-1-methylazetidin-3-amine;3-(2,3-dimethylbutan-2-yl)-2-methylidene-1,3-oxazolidine;4-(2,3-dimethylbutan-2-yl)-5-methylidene-1H-1,2,4-triazole;1-(2,3-dimethylbutan-2-yl)-2-methylimidazole;1-(2,3-dimethylbutan-2-yl)-4-methylpiperazine;2,3-dimethyl-1-pyrazol-1-ylbutan-2-ol;2-(furan-2-yl)-3-methylbutan-2-ol;methane;(1R)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;(1S)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;bis(1-methyl-4-(2-methylpropyl)piperazine);3-methyl-2-phenylbutan-2-ol;4-(2-methylpropyl)morpholine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-2-methylpropan-1-ol;2-cyclopropyl-3-methylbutan-2-ol;1-(2,3-dimethylbutan-2-yl)imidazole;2-(2,3-dimethylbutan-2-yl)-1H-imidazole;N-(2,3-dimethylbutan-2-yl)-1-methylazetidin-3-amine;3-(2,3-dimethylbutan-2-yl)-2-methylidene-1,3-oxazolidine;4-(2,3-dimethylbutan-2-yl)-5-methylidene-1H-1,2,4-triazole;1-(2,3-dimethylbutan-2-yl)-2-methylimidazole;1-(2,3-dimethylbutan-2-yl)-4-methylpiperazine;2,3-dimethyl-1-pyrazol-1-ylbutan-2-ol;2-(furan-2-yl)-3-methylbutan-2-ol;methane;(1R)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;(1S)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;bis(1-methyl-4-(2-methylpropyl)piperazine);3-methyl-2-phenylbutan-2-ol;4-(2-methylpropyl)morpholine
PubChem CID158166687
Molecular FormulaC157H306N26O10
Molecular Weight2718.35 g/mol
Exact Mass2716.42
IUPAC Name1-(azetidin-3-yl)-2-methylpropan-1-ol;2-cyclopropyl-3-methylbutan-2-ol;1-(2,3-dimethylbutan-2-yl)imidazole;2-(2,3-dimethylbutan-2-yl)-1H-imidazole;N-(2,3-dimethylbutan-2-yl)-1-methylazetidin-3-amine;3-(2,3-dimethylbutan-2-yl)-2-methylidene-1,3-oxazolidine;4-(2,3-dimethylbutan-2-yl)-5-methylidene-1H-1,2,4-triazole;1-(2,3-dimethylbutan-2-yl)-2-methylimidazole;1-(2,3-dimethylbutan-2-yl)-4-methylpiperazine;2,3-dimethyl-1-pyrazol-1-ylbutan-2-ol;2-(furan-2-yl)-3-methylbutan-2-ol;methane;(1R)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;(1S)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;bis(1-methyl-4-(2-methylpropyl)piperazine);3-methyl-2-phenylbutan-2-ol;4-(2-methylpropyl)morpholine
SMILESC.C.C.C=C1NN=CN1C(C)(C)C(C)C.C=C1OCCN1C(C)(C)C(C)C.CC(C)C(C)(C)N1CCN(C)CC1.CC(C)C(C)(C)NC1CN(C)C1.CC(C)C(C)(C)c1ncc[nH]1.CC(C)C(C)(C)n1ccnc1.CC(C)C(C)(O)C1CC1.CC(C)C(C)(O)Cn1cccn1.CC(C)C(C)(O)c1ccccc1.CC(C)C(C)(O)c1ccco1.CC(C)C(O)C1CNC1.CC(C)CN1CCN(C)CC1.CC(C)CN1CCN(C)CC1.CC(C)CN1CCOCC1.CC(C)[C@@H](O)c1cn(C)cn1.CC(C)[C@H](O)c1cn(C)cn1.Cc1nccn1C(C)(C)C(C)C
InChIInChI=1S/C11H24N2.C11H16O.C10H22N2.C10H18N2.C10H19NO.C9H17N3.C9H16N2O.2C9H16N2.2C9H20N2.C9H14O2.2C8H14N2O.C8H17NO.C8H16O.C7H15NO.3CH4/c1-10(2)11(3,4)13-8-6-12(5)7-9-13;1-9(2)11(3,12)10-7-5-4-6-8-10;1-8(2)10(3,4)11-9-6-12(5)7-9;1-8(2)10(4,5)12-7-6-11-9(12)3;1-8(2)10(4,5)11-6-7-12-9(11)3;1-7(2)9(4,5)12-6-10-11-8(12)3;1-8(2)9(3,12)7-11-6-4-5-10-11;1-8(2)9(3,4)11-6-5-10-7-11;1-7(2)9(3,4)8-10-5-6-11-8;2*1-9(2)8-11-6-4-10(3)5-7-11;1-7(2)9(3,10)8-5-4-6-11-8;2*1-6(2)8(11)7-4-10(3)5-9-7;1-8(2)7-9-3-5-10-6-4-9;1-6(2)8(3,9)7-4-5-7;1-5(2)7(9)6-3-8-4-6;;;/h10H,6-9H2,1-5H3;4-9,12H,1-3H3;8-9,11H,6-7H2,1-5H3;6-8H,1-5H3;8H,3,6-7H2,1-2,4-5H3;6-7,11H,3H2,1-2,4-5H3;4-6,8,12H,7H2,1-3H3;5-8H,1-4H3;5-7H,1-4H3,(H,10,11);2*9H,4-8H2,1-3H3;4-7,10H,1-3H3;2*4-6,8,11H,1-3H3;8H,3-7H2,1-2H3;6-7,9H,4-5H2,1-3H3;5-9H,3-4H2,1-2H3;3*1H4/t;;;;;;;;;;;;2*8-;;;;;;/m............10....../s1
InChIKeyFWXUWUKKXRAWCX-GGOCCNBCSA-N
XLogP29.05
TPSA371.84 Ų
H-Bond Donors11
H-Bond Acceptors35
Rotatable Bonds36
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002718.35
LogP ≤ 529.05
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1035

Analyze 1-(azetidin-3-yl)-2-methylpropan-1-ol;2-cyclopropyl-3-methylbutan-2-ol;1-(2,3-dimethylbutan-2-yl)imidazole;2-(2,3-dimethylbutan-2-yl)-1H-imidazole;N-(2,3-dimethylbutan-2-yl)-1-methylazetidin-3-amine;3-(2,3-dimethylbutan-2-yl)-2-methylidene-1,3-oxazolidine;4-(2,3-dimethylbutan-2-yl)-5-methylidene-1H-1,2,4-triazole;1-(2,3-dimethylbutan-2-yl)-2-methylimidazole;1-(2,3-dimethylbutan-2-yl)-4-methylpiperazine;2,3-dimethyl-1-pyrazol-1-ylbutan-2-ol;2-(furan-2-yl)-3-methylbutan-2-ol;methane;(1R)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;(1S)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;bis(1-methyl-4-(2-methylpropyl)piperazine);3-methyl-2-phenylbutan-2-ol;4-(2-methylpropyl)morpholine with MolForge

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Launch Full Analysis

Related Compounds

1-(azetidin-3-yl)-2-methylpropan-1-ol;2-cyclopropyl-3-methylbutan-2-ol;1-(2,3-dimethylbutan-2-yl)imidazole;2-(2,3-dimethylbutan-2-yl)-1H-imidazole;N-(2,3-dimethylbutan-2-yl)-1-methylazetidin-3-amine;3-(2,3-dimethylbutan-2-yl)-2-methylidene-1,3-oxazolidine;4-(2,3-dimethylbutan-2-yl)-5-methylidene-1H-1,2,4-triazole;1-(2,3-dimethylbutan-2-yl)-2-methylimidazole;1-(2,3-dimethylbutan-2-yl)-4-methylpiperazine;2,3-dimethyl-1-pyrazol-1-ylbutan-2-ol;2-(furan-2-yl)-3-methylbutan-2-ol;(1S)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;(1R)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;bis(1-methyl-4-(2-methylpropyl)piperazine);3-methyl-2-phenylbutan-2-ol;4-(2-methylpropyl)morpholine
CID 157086376
1-(azetidin-3-yl)-2-methylpropan-1-ol;2-cyclopropyl-3-methylbutan-2-ol;1-(2,3-dimethylbutan-2-yl)imidazole;N-(2,3-dimethylbutan-2-yl)-1-methylazetidin-3-amine;3-(2,3-dimethylbutan-2-yl)-2-methylidene-1,3-oxazolidine;4-(2,3-dimethylbutan-2-yl)-5-methylidene-1H-1,2,4-triazole;1-(2,3-dimethylbutan-2-yl)-2-methylimidazole;1-(2,3-dimethylbutan-2-yl)-4-methylpiperazine;2-(2,3-dimethylbutan-2-yl)-3H-pyrrole;2,3-dimethyl-1-pyrazol-1-ylbutan-2-ol;2-(furan-2-yl)-3-methylbutan-2-ol;methane;(1R)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;(1S)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;bis(1-methyl-4-(2-methylpropyl)piperazine);3-methyl-2-phenylbutan-2-ol;4-(2-methylpropyl)morpholine
CID 157177086
(1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol;3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-2-(4-methylpentyl)imidazole;1-methyl-2-(4-methylpentyl)pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)-1H-imidazole;5-(4-methylpentyl)-1H-pyrazole;bis(2-(4-methylpentyl)pyridine);4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;(1R,2S)-4-methyl-1-(1H-pyrazol-4-yl)pentane-1,2-diol;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol
CID 158721463
2-cyclopropyl-5-methylhex-3-yn-2-ol;1-(2,5-dimethylhex-3-yn-2-yl)imidazole;2-(2,5-dimethylhex-3-yn-2-yl)-1H-imidazole;N-(2,5-dimethylhex-3-yn-2-yl)-1-methylazetidin-3-amine;1-(2,5-dimethylhex-3-yn-2-yl)-2-methylimidazole;1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine;2,5-dimethyl-1-(1,2,4-triazol-1-yl)hex-3-yn-2-ol;2-(furan-2-yl)-5-methylhex-3-yn-2-ol;(1S)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;(1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;bis(1-methyl-4-(4-methylpent-2-ynyl)piperazine);4-(4-methylpent-2-ynyl)morpholine;5-methyl-2-phenylhex-3-yn-2-ol
CID 159356923

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-2-methylpropan-1-ol;2-cyclopropyl-3-methylbutan-2-ol;1-(2,3-dimethylbutan-2-yl)imidazole;2-(2,3-dimethylbutan-2-yl)-1H-imidazole;N-(2,3-dimethylbutan-2-yl)-1-methylazetidin-3-amine;3-(2,3-dimethylbutan-2-yl)-2-methylidene-1,3-oxazolidine;4-(2,3-dimethylbutan-2-yl)-5-methylidene-1H-1,2,4-triazole;1-(2,3-dimethylbutan-2-yl)-2-methylimidazole;1-(2,3-dimethylbutan-2-yl)-4-methylpiperazine;2,3-dimethyl-1-pyrazol-1-ylbutan-2-ol;2-(furan-2-yl)-3-methylbutan-2-ol;methane;(1R)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;(1S)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;bis(1-methyl-4-(2-methylpropyl)piperazine);3-methyl-2-phenylbutan-2-ol;4-(2-methylpropyl)morpholine?
The IUPAC name of 1-(azetidin-3-yl)-2-methylpropan-1-ol;2-cyclopropyl-3-methylbutan-2-ol;1-(2,3-dimethylbutan-2-yl)imidazole;2-(2,3-dimethylbutan-2-yl)-1H-imidazole;N-(2,3-dimethylbutan-2-yl)-1-methylazetidin-3-amine;3-(2,3-dimethylbutan-2-yl)-2-methylidene-1,3-oxazolidine;4-(2,3-dimethylbutan-2-yl)-5-methylidene-1H-1,2,4-triazole;1-(2,3-dimethylbutan-2-yl)-2-methylimidazole;1-(2,3-dimethylbutan-2-yl)-4-methylpiperazine;2,3-dimethyl-1-pyrazol-1-ylbutan-2-ol;2-(furan-2-yl)-3-methylbutan-2-ol;methane;(1R)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;(1S)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;bis(1-methyl-4-(2-methylpropyl)piperazine);3-methyl-2-phenylbutan-2-ol;4-(2-methylpropyl)morpholine (CID 158166687) is 1-(azetidin-3-yl)-2-methylpropan-1-ol;2-cyclopropyl-3-methylbutan-2-ol;1-(2,3-dimethylbutan-2-yl)imidazole;2-(2,3-dimethylbutan-2-yl)-1H-imidazole;N-(2,3-dimethylbutan-2-yl)-1-methylazetidin-3-amine;3-(2,3-dimethylbutan-2-yl)-2-methylidene-1,3-oxazolidine;4-(2,3-dimethylbutan-2-yl)-5-methylidene-1H-1,2,4-triazole;1-(2,3-dimethylbutan-2-yl)-2-methylimidazole;1-(2,3-dimethylbutan-2-yl)-4-methylpiperazine;2,3-dimethyl-1-pyrazol-1-ylbutan-2-ol;2-(furan-2-yl)-3-methylbutan-2-ol;methane;(1R)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;(1S)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;bis(1-methyl-4-(2-methylpropyl)piperazine);3-methyl-2-phenylbutan-2-ol;4-(2-methylpropyl)morpholine.
What is the SMILES notation for 1-(azetidin-3-yl)-2-methylpropan-1-ol;2-cyclopropyl-3-methylbutan-2-ol;1-(2,3-dimethylbutan-2-yl)imidazole;2-(2,3-dimethylbutan-2-yl)-1H-imidazole;N-(2,3-dimethylbutan-2-yl)-1-methylazetidin-3-amine;3-(2,3-dimethylbutan-2-yl)-2-methylidene-1,3-oxazolidine;4-(2,3-dimethylbutan-2-yl)-5-methylidene-1H-1,2,4-triazole;1-(2,3-dimethylbutan-2-yl)-2-methylimidazole;1-(2,3-dimethylbutan-2-yl)-4-methylpiperazine;2,3-dimethyl-1-pyrazol-1-ylbutan-2-ol;2-(furan-2-yl)-3-methylbutan-2-ol;methane;(1R)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;(1S)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;bis(1-methyl-4-(2-methylpropyl)piperazine);3-methyl-2-phenylbutan-2-ol;4-(2-methylpropyl)morpholine?
The canonical SMILES for 1-(azetidin-3-yl)-2-methylpropan-1-ol;2-cyclopropyl-3-methylbutan-2-ol;1-(2,3-dimethylbutan-2-yl)imidazole;2-(2,3-dimethylbutan-2-yl)-1H-imidazole;N-(2,3-dimethylbutan-2-yl)-1-methylazetidin-3-amine;3-(2,3-dimethylbutan-2-yl)-2-methylidene-1,3-oxazolidine;4-(2,3-dimethylbutan-2-yl)-5-methylidene-1H-1,2,4-triazole;1-(2,3-dimethylbutan-2-yl)-2-methylimidazole;1-(2,3-dimethylbutan-2-yl)-4-methylpiperazine;2,3-dimethyl-1-pyrazol-1-ylbutan-2-ol;2-(furan-2-yl)-3-methylbutan-2-ol;methane;(1R)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;(1S)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;bis(1-methyl-4-(2-methylpropyl)piperazine);3-methyl-2-phenylbutan-2-ol;4-(2-methylpropyl)morpholine is C.C.C.C=C1NN=CN1C(C)(C)C(C)C.C=C1OCCN1C(C)(C)C(C)C.CC(C)C(C)(C)N1CCN(C)CC1.CC(C)C(C)(C)NC1CN(C)C1.CC(C)C(C)(C)c1ncc[nH]1.CC(C)C(C)(C)n1ccnc1.CC(C)C(C)(O)C1CC1.CC(C)C(C)(O)Cn1cccn1.CC(C)C(C)(O)c1ccccc1.CC(C)C(C)(O)c1ccco1.CC(C)C(O)C1CNC1.CC(C)CN1CCN(C)CC1.CC(C)CN1CCN(C)CC1.CC(C)CN1CCOCC1.CC(C)[C@@H](O)c1cn(C)cn1.CC(C)[C@H](O)c1cn(C)cn1.Cc1nccn1C(C)(C)C(C)C.
What is the InChIKey of 1-(azetidin-3-yl)-2-methylpropan-1-ol;2-cyclopropyl-3-methylbutan-2-ol;1-(2,3-dimethylbutan-2-yl)imidazole;2-(2,3-dimethylbutan-2-yl)-1H-imidazole;N-(2,3-dimethylbutan-2-yl)-1-methylazetidin-3-amine;3-(2,3-dimethylbutan-2-yl)-2-methylidene-1,3-oxazolidine;4-(2,3-dimethylbutan-2-yl)-5-methylidene-1H-1,2,4-triazole;1-(2,3-dimethylbutan-2-yl)-2-methylimidazole;1-(2,3-dimethylbutan-2-yl)-4-methylpiperazine;2,3-dimethyl-1-pyrazol-1-ylbutan-2-ol;2-(furan-2-yl)-3-methylbutan-2-ol;methane;(1R)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;(1S)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;bis(1-methyl-4-(2-methylpropyl)piperazine);3-methyl-2-phenylbutan-2-ol;4-(2-methylpropyl)morpholine?
The InChIKey is FWXUWUKKXRAWCX-GGOCCNBCSA-N. The full InChI is InChI=1S/C11H24N2.C11H16O.C10H22N2.C10H18N2.C10H19NO.C9H17N3.C9H16N2O.2C9H16N2.2C9H20N2.C9H14O2.2C8H14N2O.C8H17NO.C8H16O.C7H15NO.3CH4/c1-10(2)11(3,4)13-8-6-12(5)7-9-13;1-9(2)11(3,12)10-7-5-4-6-8-10;1-8(2)10(3,4)11-9-6-12(5)7-9;1-8(2)10(4,5)12-7-6-11-9(12)3;1-8(2)10(4,5)11-6-7-12-9(11)3;1-7(2)9(4,5)12-6-10-11-8(12)3;1-8(2)9(3,12)7-11-6-4-5-10-11;1-8(2)9(3,4)11-6-5-10-7-11;1-7(2)9(3,4)8-10-5-6-11-8;2*1-9(2)8-11-6-4-10(3)5-7-11;1-7(2)9(3,10)8-5-4-6-11-8;2*1-6(2)8(11)7-4-10(3)5-9-7;1-8(2)7-9-3-5-10-6-4-9;1-6(2)8(3,9)7-4-5-7;1-5(2)7(9)6-3-8-4-6;;;/h10H,6-9H2,1-5H3;4-9,12H,1-3H3;8-9,11H,6-7H2,1-5H3;6-8H,1-5H3;8H,3,6-7H2,1-2,4-5H3;6-7,11H,3H2,1-2,4-5H3;4-6,8,12H,7H2,1-3H3;5-8H,1-4H3;5-7H,1-4H3,(H,10,11);2*9H,4-8H2,1-3H3;4-7,10H,1-3H3;2*4-6,8,11H,1-3H3;8H,3-7H2,1-2H3;6-7,9H,4-5H2,1-3H3;5-9H,3-4H2,1-2H3;3*1H4/t;;;;;;;;;;;;2*8-;;;;;;/m............10....../s1.
What are the key properties of 1-(azetidin-3-yl)-2-methylpropan-1-ol;2-cyclopropyl-3-methylbutan-2-ol;1-(2,3-dimethylbutan-2-yl)imidazole;2-(2,3-dimethylbutan-2-yl)-1H-imidazole;N-(2,3-dimethylbutan-2-yl)-1-methylazetidin-3-amine;3-(2,3-dimethylbutan-2-yl)-2-methylidene-1,3-oxazolidine;4-(2,3-dimethylbutan-2-yl)-5-methylidene-1H-1,2,4-triazole;1-(2,3-dimethylbutan-2-yl)-2-methylimidazole;1-(2,3-dimethylbutan-2-yl)-4-methylpiperazine;2,3-dimethyl-1-pyrazol-1-ylbutan-2-ol;2-(furan-2-yl)-3-methylbutan-2-ol;methane;(1R)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;(1S)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;bis(1-methyl-4-(2-methylpropyl)piperazine);3-methyl-2-phenylbutan-2-ol;4-(2-methylpropyl)morpholine?
1-(azetidin-3-yl)-2-methylpropan-1-ol;2-cyclopropyl-3-methylbutan-2-ol;1-(2,3-dimethylbutan-2-yl)imidazole;2-(2,3-dimethylbutan-2-yl)-1H-imidazole;N-(2,3-dimethylbutan-2-yl)-1-methylazetidin-3-amine;3-(2,3-dimethylbutan-2-yl)-2-methylidene-1,3-oxazolidine;4-(2,3-dimethylbutan-2-yl)-5-methylidene-1H-1,2,4-triazole;1-(2,3-dimethylbutan-2-yl)-2-methylimidazole;1-(2,3-dimethylbutan-2-yl)-4-methylpiperazine;2,3-dimethyl-1-pyrazol-1-ylbutan-2-ol;2-(furan-2-yl)-3-methylbutan-2-ol;methane;(1R)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;(1S)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;bis(1-methyl-4-(2-methylpropyl)piperazine);3-methyl-2-phenylbutan-2-ol;4-(2-methylpropyl)morpholine has a molecular weight of 2718.35 g/mol, XLogP of 29.05, 36 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-2-methylpropan-1-ol;2-cyclopropyl-3-methylbutan-2-ol;1-(2,3-dimethylbutan-2-yl)imidazole;2-(2,3-dimethylbutan-2-yl)-1H-imidazole;N-(2,3-dimethylbutan-2-yl)-1-methylazetidin-3-amine;3-(2,3-dimethylbutan-2-yl)-2-methylidene-1,3-oxazolidine;4-(2,3-dimethylbutan-2-yl)-5-methylidene-1H-1,2,4-triazole;1-(2,3-dimethylbutan-2-yl)-2-methylimidazole;1-(2,3-dimethylbutan-2-yl)-4-methylpiperazine;2,3-dimethyl-1-pyrazol-1-ylbutan-2-ol;2-(furan-2-yl)-3-methylbutan-2-ol;methane;(1R)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;(1S)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;bis(1-methyl-4-(2-methylpropyl)piperazine);3-methyl-2-phenylbutan-2-ol;4-(2-methylpropyl)morpholine is sourced from PubChem (CID 158166687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).