2-(3,4-dimethylfuran-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,2-oxazol-3-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-oxazol-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine;methane;N-propan-2-yl-2-(2,4,5-trimethylfuran-3-yl)propan-2-amine;N-propan-2-yl-2-(3,4,5-trimethylfuran-2-yl)propan-2-amine;N-propan-2-yl-2-(1,2,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(1,4,5-trimethylimidazol-2-yl)propan-2-amine;N-propan-2-yl-2-(2,3,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(4,5,6-trimethylpyrimidin-2-yl)propan-2-amine;N-propan-2-yl-2-(2,4,5-trimethylthiophen-3-yl)propan-2-amine

C179H330N30O7S4 — CID 158525858

IUPAC2-(3,4-dimethylfuran-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,2-oxazol-3-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-oxazol-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine;methane;N-propan-2-yl-2-(2,4,5-trimethylfuran-3-yl)propan-2-amine;N-propan-2-yl-2-(3,4,5-trimethylfuran-2-yl)propan-2-amine;N-propan-2-yl-2-(1,2,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(1,4,5-trimethylimidazol-2-yl)propan-2-amine;N-propan-2-yl-2-(2,3,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(4,5,6-trimethylpyrimidin-2-yl)propan-2-amine;N-propan-2-yl-2-(2,4,5-trimethylthiophen-3-yl)propan-2-amine
SMILESC.C.Cc1coc(C(C)(C)NC(C)C)c1C.Cc1nc(C(C)(C)NC(C)C)c(C)n1C.Cc1nc(C(C)(C)NC(C)C)c(C)o1.Cc1nc(C(C)(C)NC(C)C)c(C)s1.Cc1nc(C(C)(C)NC(C)C)n(C)c1C.Cc1nc(C(C)(C)NC(C)C)nc(C)c1C.Cc1nc(C(C)(C)NC(C)C)oc1C.Cc1nc(C(C)(C)NC(C)C)sc1C.Cc1nc(C)c(C(C)(C)NC(C)C)o1.Cc1nc(C)c(C(C)(C)NC(C)C)s1.Cc1nc(C)n(C)c1C(C)(C)NC(C)C.Cc1oc(C(C)(C)NC(C)C)c(C)c1C.Cc1oc(C)c(C(C)(C)NC(C)C)c1C.Cc1onc(C(C)(C)NC(C)C)c1C.Cc1sc(C)c(C(C)(C)NC(C)C)c1C
InChIInChI=1S/C13H23N3.2C13H23NO.C13H23NS.3C12H23N3.C12H21NO.4C11H20N2O.3C11H20N2S.2CH4/c1-8(2)16-13(6,7)12-14-10(4)9(3)11(5)15-12;1-8(2)14-13(6,7)12-9(3)10(4)15-11(12)5;1-8(2)14-13(6,7)12-10(4)9(3)11(5)15-12;1-8(2)14-13(6,7)12-9(3)10(4)15-11(12)5;1-8(2)14-12(5,6)11-9(3)15(7)10(4)13-11;1-8(2)14-12(5,6)11-9(3)13-10(4)15(11)7;1-8(2)14-12(5,6)11-13-9(3)10(4)15(11)7;1-8(2)13-12(5,6)11-10(4)9(3)7-14-11;1-7(2)13-11(5,6)10-8(3)14-9(4)12-10;1-7(2)13-11(5,6)10-8(3)12-9(4)14-10;1-7(2)13-11(5,6)10-12-8(3)9(4)14-10;1-7(2)12-11(5,6)10-8(3)9(4)14-13-10;1-7(2)13-11(5,6)10-8(3)14-9(4)12-10;1-7(2)13-11(5,6)10-8(3)12-9(4)14-10;1-7(2)13-11(5,6)10-12-8(3)9(4)14-10;;/h8,16H,1-7H3;6*8,14H,1-7H3;7-8,13H,1-6H3;3*7,13H,1-6H3;7,12H,1-6H3;3*7,13H,1-6H3;2*1H4
InChIKeyHMTSXDQXGCHCRL-UHFFFAOYSA-N
MW3143.08 g/mol
LogP43.71
Rot. Bonds45

About 2-(3,4-dimethylfuran-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,2-oxazol-3-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-oxazol-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine;methane;N-propan-2-yl-2-(2,4,5-trimethylfuran-3-yl)propan-2-amine;N-propan-2-yl-2-(3,4,5-trimethylfuran-2-yl)propan-2-amine;N-propan-2-yl-2-(1,2,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(1,4,5-trimethylimidazol-2-yl)propan-2-amine;N-propan-2-yl-2-(2,3,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(4,5,6-trimethylpyrimidin-2-yl)propan-2-amine;N-propan-2-yl-2-(2,4,5-trimethylthiophen-3-yl)propan-2-amine

2-(3,4-dimethylfuran-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,2-oxazol-3-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-oxazol-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine;methane;N-propan-2-yl-2-(2,4,5-trimethylfuran-3-yl)propan-2-amine;N-propan-2-yl-2-(3,4,5-trimethylfuran-2-yl)propan-2-amine;N-propan-2-yl-2-(1,2,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(1,4,5-trimethylimidazol-2-yl)propan-2-amine;N-propan-2-yl-2-(2,3,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(4,5,6-trimethylpyrimidin-2-yl)propan-2-amine;N-propan-2-yl-2-(2,4,5-trimethylthiophen-3-yl)propan-2-amine (PubChem CID 158525858) has the molecular formula C179H330N30O7S4 and a molecular weight of 3143.08 g/mol. Its IUPAC name is 2-(3,4-dimethylfuran-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,2-oxazol-3-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-oxazol-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine;methane;N-propan-2-yl-2-(2,4,5-trimethylfuran-3-yl)propan-2-amine;N-propan-2-yl-2-(3,4,5-trimethylfuran-2-yl)propan-2-amine;N-propan-2-yl-2-(1,2,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(1,4,5-trimethylimidazol-2-yl)propan-2-amine;N-propan-2-yl-2-(2,3,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(4,5,6-trimethylpyrimidin-2-yl)propan-2-amine;N-propan-2-yl-2-(2,4,5-trimethylthiophen-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(3,4-dimethylfuran-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,2-oxazol-3-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-oxazol-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine;methane;N-propan-2-yl-2-(2,4,5-trimethylfuran-3-yl)propan-2-amine;N-propan-2-yl-2-(3,4,5-trimethylfuran-2-yl)propan-2-amine;N-propan-2-yl-2-(1,2,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(1,4,5-trimethylimidazol-2-yl)propan-2-amine;N-propan-2-yl-2-(2,3,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(4,5,6-trimethylpyrimidin-2-yl)propan-2-amine;N-propan-2-yl-2-(2,4,5-trimethylthiophen-3-yl)propan-2-amine
PubChem CID158525858
Molecular FormulaC179H330N30O7S4
Molecular Weight3143.08 g/mol
Exact Mass3140.53
IUPAC Name2-(3,4-dimethylfuran-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,2-oxazol-3-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-oxazol-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine;methane;N-propan-2-yl-2-(2,4,5-trimethylfuran-3-yl)propan-2-amine;N-propan-2-yl-2-(3,4,5-trimethylfuran-2-yl)propan-2-amine;N-propan-2-yl-2-(1,2,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(1,4,5-trimethylimidazol-2-yl)propan-2-amine;N-propan-2-yl-2-(2,3,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(4,5,6-trimethylpyrimidin-2-yl)propan-2-amine;N-propan-2-yl-2-(2,4,5-trimethylthiophen-3-yl)propan-2-amine
SMILESC.C.Cc1coc(C(C)(C)NC(C)C)c1C.Cc1nc(C(C)(C)NC(C)C)c(C)n1C.Cc1nc(C(C)(C)NC(C)C)c(C)o1.Cc1nc(C(C)(C)NC(C)C)c(C)s1.Cc1nc(C(C)(C)NC(C)C)n(C)c1C.Cc1nc(C(C)(C)NC(C)C)nc(C)c1C.Cc1nc(C(C)(C)NC(C)C)oc1C.Cc1nc(C(C)(C)NC(C)C)sc1C.Cc1nc(C)c(C(C)(C)NC(C)C)o1.Cc1nc(C)c(C(C)(C)NC(C)C)s1.Cc1nc(C)n(C)c1C(C)(C)NC(C)C.Cc1oc(C(C)(C)NC(C)C)c(C)c1C.Cc1oc(C)c(C(C)(C)NC(C)C)c1C.Cc1onc(C(C)(C)NC(C)C)c1C.Cc1sc(C)c(C(C)(C)NC(C)C)c1C
InChIInChI=1S/C13H23N3.2C13H23NO.C13H23NS.3C12H23N3.C12H21NO.4C11H20N2O.3C11H20N2S.2CH4/c1-8(2)16-13(6,7)12-14-10(4)9(3)11(5)15-12;1-8(2)14-13(6,7)12-9(3)10(4)15-11(12)5;1-8(2)14-13(6,7)12-10(4)9(3)11(5)15-12;1-8(2)14-13(6,7)12-9(3)10(4)15-11(12)5;1-8(2)14-12(5,6)11-9(3)15(7)10(4)13-11;1-8(2)14-12(5,6)11-9(3)13-10(4)15(11)7;1-8(2)14-12(5,6)11-13-9(3)10(4)15(11)7;1-8(2)13-12(5,6)11-10(4)9(3)7-14-11;1-7(2)13-11(5,6)10-8(3)14-9(4)12-10;1-7(2)13-11(5,6)10-8(3)12-9(4)14-10;1-7(2)13-11(5,6)10-12-8(3)9(4)14-10;1-7(2)12-11(5,6)10-8(3)9(4)14-13-10;1-7(2)13-11(5,6)10-8(3)14-9(4)12-10;1-7(2)13-11(5,6)10-8(3)12-9(4)14-10;1-7(2)13-11(5,6)10-12-8(3)9(4)14-10;;/h8,16H,1-7H3;6*8,14H,1-7H3;7-8,13H,1-6H3;3*7,13H,1-6H3;7,12H,1-6H3;3*7,13H,1-6H3;2*1H4
InChIKeyHMTSXDQXGCHCRL-UHFFFAOYSA-N
XLogP43.71
TPSA441.90 Ų
H-Bond Donors15
H-Bond Acceptors41
Rotatable Bonds45
Heavy Atoms220
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003143.08
LogP ≤ 543.71
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1041

Analyze 2-(3,4-dimethylfuran-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,2-oxazol-3-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-oxazol-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine;methane;N-propan-2-yl-2-(2,4,5-trimethylfuran-3-yl)propan-2-amine;N-propan-2-yl-2-(3,4,5-trimethylfuran-2-yl)propan-2-amine;N-propan-2-yl-2-(1,2,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(1,4,5-trimethylimidazol-2-yl)propan-2-amine;N-propan-2-yl-2-(2,3,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(4,5,6-trimethylpyrimidin-2-yl)propan-2-amine;N-propan-2-yl-2-(2,4,5-trimethylthiophen-3-yl)propan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylfuran-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,2-oxazol-3-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-oxazol-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine;methane;N-propan-2-yl-2-(2,4,5-trimethylfuran-3-yl)propan-2-amine;N-propan-2-yl-2-(3,4,5-trimethylfuran-2-yl)propan-2-amine;N-propan-2-yl-2-(1,2,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(1,4,5-trimethylimidazol-2-yl)propan-2-amine;N-propan-2-yl-2-(2,3,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(4,5,6-trimethylpyrimidin-2-yl)propan-2-amine;N-propan-2-yl-2-(2,4,5-trimethylthiophen-3-yl)propan-2-amine?
The IUPAC name of 2-(3,4-dimethylfuran-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,2-oxazol-3-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-oxazol-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine;methane;N-propan-2-yl-2-(2,4,5-trimethylfuran-3-yl)propan-2-amine;N-propan-2-yl-2-(3,4,5-trimethylfuran-2-yl)propan-2-amine;N-propan-2-yl-2-(1,2,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(1,4,5-trimethylimidazol-2-yl)propan-2-amine;N-propan-2-yl-2-(2,3,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(4,5,6-trimethylpyrimidin-2-yl)propan-2-amine;N-propan-2-yl-2-(2,4,5-trimethylthiophen-3-yl)propan-2-amine (CID 158525858) is 2-(3,4-dimethylfuran-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,2-oxazol-3-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-oxazol-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine;methane;N-propan-2-yl-2-(2,4,5-trimethylfuran-3-yl)propan-2-amine;N-propan-2-yl-2-(3,4,5-trimethylfuran-2-yl)propan-2-amine;N-propan-2-yl-2-(1,2,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(1,4,5-trimethylimidazol-2-yl)propan-2-amine;N-propan-2-yl-2-(2,3,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(4,5,6-trimethylpyrimidin-2-yl)propan-2-amine;N-propan-2-yl-2-(2,4,5-trimethylthiophen-3-yl)propan-2-amine.
What is the SMILES notation for 2-(3,4-dimethylfuran-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,2-oxazol-3-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-oxazol-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine;methane;N-propan-2-yl-2-(2,4,5-trimethylfuran-3-yl)propan-2-amine;N-propan-2-yl-2-(3,4,5-trimethylfuran-2-yl)propan-2-amine;N-propan-2-yl-2-(1,2,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(1,4,5-trimethylimidazol-2-yl)propan-2-amine;N-propan-2-yl-2-(2,3,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(4,5,6-trimethylpyrimidin-2-yl)propan-2-amine;N-propan-2-yl-2-(2,4,5-trimethylthiophen-3-yl)propan-2-amine?
The canonical SMILES for 2-(3,4-dimethylfuran-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,2-oxazol-3-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-oxazol-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine;methane;N-propan-2-yl-2-(2,4,5-trimethylfuran-3-yl)propan-2-amine;N-propan-2-yl-2-(3,4,5-trimethylfuran-2-yl)propan-2-amine;N-propan-2-yl-2-(1,2,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(1,4,5-trimethylimidazol-2-yl)propan-2-amine;N-propan-2-yl-2-(2,3,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(4,5,6-trimethylpyrimidin-2-yl)propan-2-amine;N-propan-2-yl-2-(2,4,5-trimethylthiophen-3-yl)propan-2-amine is C.C.Cc1coc(C(C)(C)NC(C)C)c1C.Cc1nc(C(C)(C)NC(C)C)c(C)n1C.Cc1nc(C(C)(C)NC(C)C)c(C)o1.Cc1nc(C(C)(C)NC(C)C)c(C)s1.Cc1nc(C(C)(C)NC(C)C)n(C)c1C.Cc1nc(C(C)(C)NC(C)C)nc(C)c1C.Cc1nc(C(C)(C)NC(C)C)oc1C.Cc1nc(C(C)(C)NC(C)C)sc1C.Cc1nc(C)c(C(C)(C)NC(C)C)o1.Cc1nc(C)c(C(C)(C)NC(C)C)s1.Cc1nc(C)n(C)c1C(C)(C)NC(C)C.Cc1oc(C(C)(C)NC(C)C)c(C)c1C.Cc1oc(C)c(C(C)(C)NC(C)C)c1C.Cc1onc(C(C)(C)NC(C)C)c1C.Cc1sc(C)c(C(C)(C)NC(C)C)c1C.
What is the InChIKey of 2-(3,4-dimethylfuran-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,2-oxazol-3-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-oxazol-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine;methane;N-propan-2-yl-2-(2,4,5-trimethylfuran-3-yl)propan-2-amine;N-propan-2-yl-2-(3,4,5-trimethylfuran-2-yl)propan-2-amine;N-propan-2-yl-2-(1,2,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(1,4,5-trimethylimidazol-2-yl)propan-2-amine;N-propan-2-yl-2-(2,3,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(4,5,6-trimethylpyrimidin-2-yl)propan-2-amine;N-propan-2-yl-2-(2,4,5-trimethylthiophen-3-yl)propan-2-amine?
The InChIKey is HMTSXDQXGCHCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3.2C13H23NO.C13H23NS.3C12H23N3.C12H21NO.4C11H20N2O.3C11H20N2S.2CH4/c1-8(2)16-13(6,7)12-14-10(4)9(3)11(5)15-12;1-8(2)14-13(6,7)12-9(3)10(4)15-11(12)5;1-8(2)14-13(6,7)12-10(4)9(3)11(5)15-12;1-8(2)14-13(6,7)12-9(3)10(4)15-11(12)5;1-8(2)14-12(5,6)11-9(3)15(7)10(4)13-11;1-8(2)14-12(5,6)11-9(3)13-10(4)15(11)7;1-8(2)14-12(5,6)11-13-9(3)10(4)15(11)7;1-8(2)13-12(5,6)11-10(4)9(3)7-14-11;1-7(2)13-11(5,6)10-8(3)14-9(4)12-10;1-7(2)13-11(5,6)10-8(3)12-9(4)14-10;1-7(2)13-11(5,6)10-12-8(3)9(4)14-10;1-7(2)12-11(5,6)10-8(3)9(4)14-13-10;1-7(2)13-11(5,6)10-8(3)14-9(4)12-10;1-7(2)13-11(5,6)10-8(3)12-9(4)14-10;1-7(2)13-11(5,6)10-12-8(3)9(4)14-10;;/h8,16H,1-7H3;6*8,14H,1-7H3;7-8,13H,1-6H3;3*7,13H,1-6H3;7,12H,1-6H3;3*7,13H,1-6H3;2*1H4.
What are the key properties of 2-(3,4-dimethylfuran-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,2-oxazol-3-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-oxazol-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine;methane;N-propan-2-yl-2-(2,4,5-trimethylfuran-3-yl)propan-2-amine;N-propan-2-yl-2-(3,4,5-trimethylfuran-2-yl)propan-2-amine;N-propan-2-yl-2-(1,2,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(1,4,5-trimethylimidazol-2-yl)propan-2-amine;N-propan-2-yl-2-(2,3,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(4,5,6-trimethylpyrimidin-2-yl)propan-2-amine;N-propan-2-yl-2-(2,4,5-trimethylthiophen-3-yl)propan-2-amine?
2-(3,4-dimethylfuran-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,2-oxazol-3-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-oxazol-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine;methane;N-propan-2-yl-2-(2,4,5-trimethylfuran-3-yl)propan-2-amine;N-propan-2-yl-2-(3,4,5-trimethylfuran-2-yl)propan-2-amine;N-propan-2-yl-2-(1,2,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(1,4,5-trimethylimidazol-2-yl)propan-2-amine;N-propan-2-yl-2-(2,3,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(4,5,6-trimethylpyrimidin-2-yl)propan-2-amine;N-propan-2-yl-2-(2,4,5-trimethylthiophen-3-yl)propan-2-amine has a molecular weight of 3143.08 g/mol, XLogP of 43.71, 45 rotatable bonds, 15 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylfuran-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,2-oxazol-3-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-oxazol-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine;methane;N-propan-2-yl-2-(2,4,5-trimethylfuran-3-yl)propan-2-amine;N-propan-2-yl-2-(3,4,5-trimethylfuran-2-yl)propan-2-amine;N-propan-2-yl-2-(1,2,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(1,4,5-trimethylimidazol-2-yl)propan-2-amine;N-propan-2-yl-2-(2,3,5-trimethylimidazol-4-yl)propan-2-amine;N-propan-2-yl-2-(4,5,6-trimethylpyrimidin-2-yl)propan-2-amine;N-propan-2-yl-2-(2,4,5-trimethylthiophen-3-yl)propan-2-amine is sourced from PubChem (CID 158525858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).