N,N-diethylpropan-2-amine;N,2-dimethylpropanamide;N,N-dimethylpropan-2-amine;2,6-dimethyl-4-propan-2-ylmorpholine;2-ethoxypropane;N-ethyl-N-(2-methoxyethyl)propan-2-amine;N-ethyl-N-methylpropan-2-amine;ethyl 2-methylpropanoate;3-ethyl-1-propan-2-ylpyrrolidine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-methoxy-2-methylpropane;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methylpropane;2-methylpropanoic acid;2-methylpropan-1-ol;2-[methyl(propan-2-yl)amino]ethanol;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)morpholine;propan-2-ol;4-propan-2-ylmorpholine;propan-2-yloxymethylcyclopropane;2-propan-2-yloxypropane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-3-one;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1,1,1-trifluoro-2-methylpropane

C222H490F3N25O25 — CID 161388892

IUPACN,N-diethylpropan-2-amine;N,2-dimethylpropanamide;N,N-dimethylpropan-2-amine;2,6-dimethyl-4-propan-2-ylmorpholine;2-ethoxypropane;N-ethyl-N-(2-methoxyethyl)propan-2-amine;N-ethyl-N-methylpropan-2-amine;ethyl 2-methylpropanoate;3-ethyl-1-propan-2-ylpyrrolidine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-methoxy-2-methylpropane;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methylpropane;2-methylpropanoic acid;2-methylpropan-1-ol;2-[methyl(propan-2-yl)amino]ethanol;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)morpholine;propan-2-ol;4-propan-2-ylmorpholine;propan-2-yloxymethylcyclopropane;2-propan-2-yloxypropane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-3-one;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1,1,1-trifluoro-2-methylpropane
SMILESCC(C)C.CC(C)C(=O)N1CCOCC1.CC(C)C(=O)O.CC(C)C(F)(F)F.CC(C)CC1CC1.CC(C)CN1CCOCC1.CC(C)CO.CC(C)N(C)C.CC(C)N(C)CCO.CC(C)N1CCC(N)C1.CC(C)N1CCC(O)C1.CC(C)N1CCC(O)CC1.CC(C)N1CCCC(=O)C1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)N1CCOCC1C.CC(C)O.CC(C)OC(C)C.CC(C)OCC1CC1.CC1CN(C(C)C)CC(C)O1.CCC1CCN(C(C)C)C1.CCN(C)C(C)C.CCN(CC)C(C)C.CCN(CCOC)C(C)C.CCOC(=O)C(C)C.CCOC(C)C.CNC(=O)C(C)C.CNC(C)C.COC1CCN(C(C)C)C1.COC1CCN(C(C)C)CC1.COCC(C)C.COCCN(C)C(C)C
InChIInChI=1S/2C9H19NO.C9H19N.C8H18N2.C8H15NO2.4C8H17NO.C8H15NO.C8H19NO.C8H17N.C7H16N2.2C7H15NO.C7H17NO.C7H15N.C7H17N.C7H14O.C7H14.C6H15NO.C6H15N.C6H12O2.C6H14O.C5H11NO.C5H13N.2C5H12O.C4H7F3.C4H11N.C4H8O2.C4H10O.C4H10.C3H8O/c1-7(2)10-5-8(3)11-9(4)6-10;1-8(2)10-6-4-9(11-3)5-7-10;1-4-9-5-6-10(7-9)8(2)3;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8(10)9-3-5-11-6-4-9;1-7(2)9-5-4-8(6-9)10-3;1-7(2)9-4-5-10-6-8(9)3;1-8(2)7-9-3-5-10-6-4-9;1-7(2)9-5-3-8(10)4-6-9;1-7(2)9-5-3-4-8(10)6-9;1-5-9(8(2)3)6-7-10-4;1-8(2)9-6-4-3-5-7-9;1-6(2)9-4-3-7(8)5-9;1-7(2)8-3-5-9-6-4-8;1-6(2)8-4-3-7(9)5-8;1-7(2)8(3)5-6-9-4;1-7(2)8-5-3-4-6-8;1-5-8(6-2)7(3)4;1-6(2)8-5-7-3-4-7;1-6(2)5-7-3-4-7;1-6(2)7(3)4-5-8;1-5-7(4)6(2)3;1-4-8-6(7)5(2)3;1-5(2)7-6(3)4;1-4(2)5(7)6-3;1-5(2)6(3)4;1-5(2)4-6-3;1-4-6-5(2)3;1-3(2)4(5,6)7;1-4(2)5-3;1-3(2)4(5)6;1-4(2)3-5;1-4(2)3;1-3(2)4/h7-9H,5-6H2,1-4H3;8-9H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;2*7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3;8H,5-7H2,1-4H3;8H,3-7H2,1-2H3;6-7H,3-5,8H2,1-2H3;7H,3-6H2,1-2H3;6-7,9H,3-5H2,1-2H3;7H,5-6H2,1-4H3;7H,3-6H2,1-2H3;7H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;6,8H,4-5H2,1-3H3;6H,5H2,1-4H3;5H,4H2,1-3H3;5-6H,1-4H3;4H,1-3H3,(H,6,7);5H,1-4H3;2*5H,4H2,1-3H3;3H,1-2H3;4-5H,1-3H3;3H,1-2H3,(H,5,6);4-5H,3H2,1-2H3;4H,1-3H3;3-4H,1-2H3
InChIKeyVSSGHNSPNORCAD-UHFFFAOYSA-N
MW3967.51 g/mol
LogP39.71
Rot. Bonds54

About N,N-diethylpropan-2-amine;N,2-dimethylpropanamide;N,N-dimethylpropan-2-amine;2,6-dimethyl-4-propan-2-ylmorpholine;2-ethoxypropane;N-ethyl-N-(2-methoxyethyl)propan-2-amine;N-ethyl-N-methylpropan-2-amine;ethyl 2-methylpropanoate;3-ethyl-1-propan-2-ylpyrrolidine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-methoxy-2-methylpropane;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methylpropane;2-methylpropanoic acid;2-methylpropan-1-ol;2-[methyl(propan-2-yl)amino]ethanol;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)morpholine;propan-2-ol;4-propan-2-ylmorpholine;propan-2-yloxymethylcyclopropane;2-propan-2-yloxypropane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-3-one;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1,1,1-trifluoro-2-methylpropane

N,N-diethylpropan-2-amine;N,2-dimethylpropanamide;N,N-dimethylpropan-2-amine;2,6-dimethyl-4-propan-2-ylmorpholine;2-ethoxypropane;N-ethyl-N-(2-methoxyethyl)propan-2-amine;N-ethyl-N-methylpropan-2-amine;ethyl 2-methylpropanoate;3-ethyl-1-propan-2-ylpyrrolidine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-methoxy-2-methylpropane;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methylpropane;2-methylpropanoic acid;2-methylpropan-1-ol;2-[methyl(propan-2-yl)amino]ethanol;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)morpholine;propan-2-ol;4-propan-2-ylmorpholine;propan-2-yloxymethylcyclopropane;2-propan-2-yloxypropane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-3-one;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1,1,1-trifluoro-2-methylpropane (PubChem CID 161388892) has the molecular formula C222H490F3N25O25 and a molecular weight of 3967.51 g/mol. Its IUPAC name is N,N-diethylpropan-2-amine;N,2-dimethylpropanamide;N,N-dimethylpropan-2-amine;2,6-dimethyl-4-propan-2-ylmorpholine;2-ethoxypropane;N-ethyl-N-(2-methoxyethyl)propan-2-amine;N-ethyl-N-methylpropan-2-amine;ethyl 2-methylpropanoate;3-ethyl-1-propan-2-ylpyrrolidine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-methoxy-2-methylpropane;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methylpropane;2-methylpropanoic acid;2-methylpropan-1-ol;2-[methyl(propan-2-yl)amino]ethanol;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)morpholine;propan-2-ol;4-propan-2-ylmorpholine;propan-2-yloxymethylcyclopropane;2-propan-2-yloxypropane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-3-one;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1,1,1-trifluoro-2-methylpropane.

Molecular Properties

Compound NameN,N-diethylpropan-2-amine;N,2-dimethylpropanamide;N,N-dimethylpropan-2-amine;2,6-dimethyl-4-propan-2-ylmorpholine;2-ethoxypropane;N-ethyl-N-(2-methoxyethyl)propan-2-amine;N-ethyl-N-methylpropan-2-amine;ethyl 2-methylpropanoate;3-ethyl-1-propan-2-ylpyrrolidine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-methoxy-2-methylpropane;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methylpropane;2-methylpropanoic acid;2-methylpropan-1-ol;2-[methyl(propan-2-yl)amino]ethanol;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)morpholine;propan-2-ol;4-propan-2-ylmorpholine;propan-2-yloxymethylcyclopropane;2-propan-2-yloxypropane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-3-one;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1,1,1-trifluoro-2-methylpropane
PubChem CID161388892
Molecular FormulaC222H490F3N25O25
Molecular Weight3967.51 g/mol
Exact Mass3964.78
IUPAC NameN,N-diethylpropan-2-amine;N,2-dimethylpropanamide;N,N-dimethylpropan-2-amine;2,6-dimethyl-4-propan-2-ylmorpholine;2-ethoxypropane;N-ethyl-N-(2-methoxyethyl)propan-2-amine;N-ethyl-N-methylpropan-2-amine;ethyl 2-methylpropanoate;3-ethyl-1-propan-2-ylpyrrolidine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-methoxy-2-methylpropane;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methylpropane;2-methylpropanoic acid;2-methylpropan-1-ol;2-[methyl(propan-2-yl)amino]ethanol;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)morpholine;propan-2-ol;4-propan-2-ylmorpholine;propan-2-yloxymethylcyclopropane;2-propan-2-yloxypropane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-3-one;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1,1,1-trifluoro-2-methylpropane
SMILESCC(C)C.CC(C)C(=O)N1CCOCC1.CC(C)C(=O)O.CC(C)C(F)(F)F.CC(C)CC1CC1.CC(C)CN1CCOCC1.CC(C)CO.CC(C)N(C)C.CC(C)N(C)CCO.CC(C)N1CCC(N)C1.CC(C)N1CCC(O)C1.CC(C)N1CCC(O)CC1.CC(C)N1CCCC(=O)C1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)N1CCOCC1C.CC(C)O.CC(C)OC(C)C.CC(C)OCC1CC1.CC1CN(C(C)C)CC(C)O1.CCC1CCN(C(C)C)C1.CCN(C)C(C)C.CCN(CC)C(C)C.CCN(CCOC)C(C)C.CCOC(=O)C(C)C.CCOC(C)C.CNC(=O)C(C)C.CNC(C)C.COC1CCN(C(C)C)C1.COC1CCN(C(C)C)CC1.COCC(C)C.COCCN(C)C(C)C
InChIInChI=1S/2C9H19NO.C9H19N.C8H18N2.C8H15NO2.4C8H17NO.C8H15NO.C8H19NO.C8H17N.C7H16N2.2C7H15NO.C7H17NO.C7H15N.C7H17N.C7H14O.C7H14.C6H15NO.C6H15N.C6H12O2.C6H14O.C5H11NO.C5H13N.2C5H12O.C4H7F3.C4H11N.C4H8O2.C4H10O.C4H10.C3H8O/c1-7(2)10-5-8(3)11-9(4)6-10;1-8(2)10-6-4-9(11-3)5-7-10;1-4-9-5-6-10(7-9)8(2)3;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8(10)9-3-5-11-6-4-9;1-7(2)9-5-4-8(6-9)10-3;1-7(2)9-4-5-10-6-8(9)3;1-8(2)7-9-3-5-10-6-4-9;1-7(2)9-5-3-8(10)4-6-9;1-7(2)9-5-3-4-8(10)6-9;1-5-9(8(2)3)6-7-10-4;1-8(2)9-6-4-3-5-7-9;1-6(2)9-4-3-7(8)5-9;1-7(2)8-3-5-9-6-4-8;1-6(2)8-4-3-7(9)5-8;1-7(2)8(3)5-6-9-4;1-7(2)8-5-3-4-6-8;1-5-8(6-2)7(3)4;1-6(2)8-5-7-3-4-7;1-6(2)5-7-3-4-7;1-6(2)7(3)4-5-8;1-5-7(4)6(2)3;1-4-8-6(7)5(2)3;1-5(2)7-6(3)4;1-4(2)5(7)6-3;1-5(2)6(3)4;1-5(2)4-6-3;1-4-6-5(2)3;1-3(2)4(5,6)7;1-4(2)5-3;1-3(2)4(5)6;1-4(2)3-5;1-4(2)3;1-3(2)4/h7-9H,5-6H2,1-4H3;8-9H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;2*7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3;8H,5-7H2,1-4H3;8H,3-7H2,1-2H3;6-7H,3-5,8H2,1-2H3;7H,3-6H2,1-2H3;6-7,9H,3-5H2,1-2H3;7H,5-6H2,1-4H3;7H,3-6H2,1-2H3;7H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;6,8H,4-5H2,1-3H3;6H,5H2,1-4H3;5H,4H2,1-3H3;5-6H,1-4H3;4H,1-3H3,(H,6,7);5H,1-4H3;2*5H,4H2,1-3H3;3H,1-2H3;4-5H,1-3H3;3H,1-2H3,(H,5,6);4-5H,3H2,1-2H3;4H,1-3H3;3-4H,1-2H3
InChIKeyVSSGHNSPNORCAD-UHFFFAOYSA-N
XLogP39.71
TPSA457.31 Ų
H-Bond Donors9
H-Bond Acceptors47
Rotatable Bonds54
Heavy Atoms275
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003967.51
LogP ≤ 539.71
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1047

Analyze N,N-diethylpropan-2-amine;N,2-dimethylpropanamide;N,N-dimethylpropan-2-amine;2,6-dimethyl-4-propan-2-ylmorpholine;2-ethoxypropane;N-ethyl-N-(2-methoxyethyl)propan-2-amine;N-ethyl-N-methylpropan-2-amine;ethyl 2-methylpropanoate;3-ethyl-1-propan-2-ylpyrrolidine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-methoxy-2-methylpropane;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methylpropane;2-methylpropanoic acid;2-methylpropan-1-ol;2-[methyl(propan-2-yl)amino]ethanol;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)morpholine;propan-2-ol;4-propan-2-ylmorpholine;propan-2-yloxymethylcyclopropane;2-propan-2-yloxypropane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-3-one;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1,1,1-trifluoro-2-methylpropane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylpropan-2-amine;N,2-dimethylpropanamide;N,N-dimethylpropan-2-amine;2,6-dimethyl-4-propan-2-ylmorpholine;2-ethoxypropane;N-ethyl-N-(2-methoxyethyl)propan-2-amine;N-ethyl-N-methylpropan-2-amine;ethyl 2-methylpropanoate;3-ethyl-1-propan-2-ylpyrrolidine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-methoxy-2-methylpropane;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methylpropane;2-methylpropanoic acid;2-methylpropan-1-ol;2-[methyl(propan-2-yl)amino]ethanol;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)morpholine;propan-2-ol;4-propan-2-ylmorpholine;propan-2-yloxymethylcyclopropane;2-propan-2-yloxypropane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-3-one;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1,1,1-trifluoro-2-methylpropane?
The IUPAC name of N,N-diethylpropan-2-amine;N,2-dimethylpropanamide;N,N-dimethylpropan-2-amine;2,6-dimethyl-4-propan-2-ylmorpholine;2-ethoxypropane;N-ethyl-N-(2-methoxyethyl)propan-2-amine;N-ethyl-N-methylpropan-2-amine;ethyl 2-methylpropanoate;3-ethyl-1-propan-2-ylpyrrolidine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-methoxy-2-methylpropane;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methylpropane;2-methylpropanoic acid;2-methylpropan-1-ol;2-[methyl(propan-2-yl)amino]ethanol;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)morpholine;propan-2-ol;4-propan-2-ylmorpholine;propan-2-yloxymethylcyclopropane;2-propan-2-yloxypropane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-3-one;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1,1,1-trifluoro-2-methylpropane (CID 161388892) is N,N-diethylpropan-2-amine;N,2-dimethylpropanamide;N,N-dimethylpropan-2-amine;2,6-dimethyl-4-propan-2-ylmorpholine;2-ethoxypropane;N-ethyl-N-(2-methoxyethyl)propan-2-amine;N-ethyl-N-methylpropan-2-amine;ethyl 2-methylpropanoate;3-ethyl-1-propan-2-ylpyrrolidine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-methoxy-2-methylpropane;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methylpropane;2-methylpropanoic acid;2-methylpropan-1-ol;2-[methyl(propan-2-yl)amino]ethanol;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)morpholine;propan-2-ol;4-propan-2-ylmorpholine;propan-2-yloxymethylcyclopropane;2-propan-2-yloxypropane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-3-one;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1,1,1-trifluoro-2-methylpropane.
What is the SMILES notation for N,N-diethylpropan-2-amine;N,2-dimethylpropanamide;N,N-dimethylpropan-2-amine;2,6-dimethyl-4-propan-2-ylmorpholine;2-ethoxypropane;N-ethyl-N-(2-methoxyethyl)propan-2-amine;N-ethyl-N-methylpropan-2-amine;ethyl 2-methylpropanoate;3-ethyl-1-propan-2-ylpyrrolidine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-methoxy-2-methylpropane;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methylpropane;2-methylpropanoic acid;2-methylpropan-1-ol;2-[methyl(propan-2-yl)amino]ethanol;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)morpholine;propan-2-ol;4-propan-2-ylmorpholine;propan-2-yloxymethylcyclopropane;2-propan-2-yloxypropane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-3-one;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1,1,1-trifluoro-2-methylpropane?
The canonical SMILES for N,N-diethylpropan-2-amine;N,2-dimethylpropanamide;N,N-dimethylpropan-2-amine;2,6-dimethyl-4-propan-2-ylmorpholine;2-ethoxypropane;N-ethyl-N-(2-methoxyethyl)propan-2-amine;N-ethyl-N-methylpropan-2-amine;ethyl 2-methylpropanoate;3-ethyl-1-propan-2-ylpyrrolidine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-methoxy-2-methylpropane;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methylpropane;2-methylpropanoic acid;2-methylpropan-1-ol;2-[methyl(propan-2-yl)amino]ethanol;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)morpholine;propan-2-ol;4-propan-2-ylmorpholine;propan-2-yloxymethylcyclopropane;2-propan-2-yloxypropane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-3-one;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1,1,1-trifluoro-2-methylpropane is CC(C)C.CC(C)C(=O)N1CCOCC1.CC(C)C(=O)O.CC(C)C(F)(F)F.CC(C)CC1CC1.CC(C)CN1CCOCC1.CC(C)CO.CC(C)N(C)C.CC(C)N(C)CCO.CC(C)N1CCC(N)C1.CC(C)N1CCC(O)C1.CC(C)N1CCC(O)CC1.CC(C)N1CCCC(=O)C1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)N1CCOCC1C.CC(C)O.CC(C)OC(C)C.CC(C)OCC1CC1.CC1CN(C(C)C)CC(C)O1.CCC1CCN(C(C)C)C1.CCN(C)C(C)C.CCN(CC)C(C)C.CCN(CCOC)C(C)C.CCOC(=O)C(C)C.CCOC(C)C.CNC(=O)C(C)C.CNC(C)C.COC1CCN(C(C)C)C1.COC1CCN(C(C)C)CC1.COCC(C)C.COCCN(C)C(C)C.
What is the InChIKey of N,N-diethylpropan-2-amine;N,2-dimethylpropanamide;N,N-dimethylpropan-2-amine;2,6-dimethyl-4-propan-2-ylmorpholine;2-ethoxypropane;N-ethyl-N-(2-methoxyethyl)propan-2-amine;N-ethyl-N-methylpropan-2-amine;ethyl 2-methylpropanoate;3-ethyl-1-propan-2-ylpyrrolidine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-methoxy-2-methylpropane;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methylpropane;2-methylpropanoic acid;2-methylpropan-1-ol;2-[methyl(propan-2-yl)amino]ethanol;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)morpholine;propan-2-ol;4-propan-2-ylmorpholine;propan-2-yloxymethylcyclopropane;2-propan-2-yloxypropane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-3-one;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1,1,1-trifluoro-2-methylpropane?
The InChIKey is VSSGHNSPNORCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H19NO.C9H19N.C8H18N2.C8H15NO2.4C8H17NO.C8H15NO.C8H19NO.C8H17N.C7H16N2.2C7H15NO.C7H17NO.C7H15N.C7H17N.C7H14O.C7H14.C6H15NO.C6H15N.C6H12O2.C6H14O.C5H11NO.C5H13N.2C5H12O.C4H7F3.C4H11N.C4H8O2.C4H10O.C4H10.C3H8O/c1-7(2)10-5-8(3)11-9(4)6-10;1-8(2)10-6-4-9(11-3)5-7-10;1-4-9-5-6-10(7-9)8(2)3;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8(10)9-3-5-11-6-4-9;1-7(2)9-5-4-8(6-9)10-3;1-7(2)9-4-5-10-6-8(9)3;1-8(2)7-9-3-5-10-6-4-9;1-7(2)9-5-3-8(10)4-6-9;1-7(2)9-5-3-4-8(10)6-9;1-5-9(8(2)3)6-7-10-4;1-8(2)9-6-4-3-5-7-9;1-6(2)9-4-3-7(8)5-9;1-7(2)8-3-5-9-6-4-8;1-6(2)8-4-3-7(9)5-8;1-7(2)8(3)5-6-9-4;1-7(2)8-5-3-4-6-8;1-5-8(6-2)7(3)4;1-6(2)8-5-7-3-4-7;1-6(2)5-7-3-4-7;1-6(2)7(3)4-5-8;1-5-7(4)6(2)3;1-4-8-6(7)5(2)3;1-5(2)7-6(3)4;1-4(2)5(7)6-3;1-5(2)6(3)4;1-5(2)4-6-3;1-4-6-5(2)3;1-3(2)4(5,6)7;1-4(2)5-3;1-3(2)4(5)6;1-4(2)3-5;1-4(2)3;1-3(2)4/h7-9H,5-6H2,1-4H3;8-9H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;2*7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3;8H,5-7H2,1-4H3;8H,3-7H2,1-2H3;6-7H,3-5,8H2,1-2H3;7H,3-6H2,1-2H3;6-7,9H,3-5H2,1-2H3;7H,5-6H2,1-4H3;7H,3-6H2,1-2H3;7H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;6,8H,4-5H2,1-3H3;6H,5H2,1-4H3;5H,4H2,1-3H3;5-6H,1-4H3;4H,1-3H3,(H,6,7);5H,1-4H3;2*5H,4H2,1-3H3;3H,1-2H3;4-5H,1-3H3;3H,1-2H3,(H,5,6);4-5H,3H2,1-2H3;4H,1-3H3;3-4H,1-2H3.
What are the key properties of N,N-diethylpropan-2-amine;N,2-dimethylpropanamide;N,N-dimethylpropan-2-amine;2,6-dimethyl-4-propan-2-ylmorpholine;2-ethoxypropane;N-ethyl-N-(2-methoxyethyl)propan-2-amine;N-ethyl-N-methylpropan-2-amine;ethyl 2-methylpropanoate;3-ethyl-1-propan-2-ylpyrrolidine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-methoxy-2-methylpropane;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methylpropane;2-methylpropanoic acid;2-methylpropan-1-ol;2-[methyl(propan-2-yl)amino]ethanol;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)morpholine;propan-2-ol;4-propan-2-ylmorpholine;propan-2-yloxymethylcyclopropane;2-propan-2-yloxypropane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-3-one;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1,1,1-trifluoro-2-methylpropane?
N,N-diethylpropan-2-amine;N,2-dimethylpropanamide;N,N-dimethylpropan-2-amine;2,6-dimethyl-4-propan-2-ylmorpholine;2-ethoxypropane;N-ethyl-N-(2-methoxyethyl)propan-2-amine;N-ethyl-N-methylpropan-2-amine;ethyl 2-methylpropanoate;3-ethyl-1-propan-2-ylpyrrolidine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-methoxy-2-methylpropane;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methylpropane;2-methylpropanoic acid;2-methylpropan-1-ol;2-[methyl(propan-2-yl)amino]ethanol;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)morpholine;propan-2-ol;4-propan-2-ylmorpholine;propan-2-yloxymethylcyclopropane;2-propan-2-yloxypropane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-3-one;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1,1,1-trifluoro-2-methylpropane has a molecular weight of 3967.51 g/mol, XLogP of 39.71, 54 rotatable bonds, 9 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylpropan-2-amine;N,2-dimethylpropanamide;N,N-dimethylpropan-2-amine;2,6-dimethyl-4-propan-2-ylmorpholine;2-ethoxypropane;N-ethyl-N-(2-methoxyethyl)propan-2-amine;N-ethyl-N-methylpropan-2-amine;ethyl 2-methylpropanoate;3-ethyl-1-propan-2-ylpyrrolidine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-methoxy-2-methylpropane;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methylpropane;2-methylpropanoic acid;2-methylpropan-1-ol;2-[methyl(propan-2-yl)amino]ethanol;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)morpholine;propan-2-ol;4-propan-2-ylmorpholine;propan-2-yloxymethylcyclopropane;2-propan-2-yloxypropane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-3-one;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1,1,1-trifluoro-2-methylpropane is sourced from PubChem (CID 161388892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).