N-(1-cyclopropylethyl)-2-methylpropan-1-amine;2,3-dimethylbutan-2-ol;2,2-dimethyl-N-[2-(2-methylpropylamino)ethyl]propanamide;2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methylpropan-1-amine;2-methyl-N-[2-(4-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine;2-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-1-amine;2-methyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine;2-methyl-1-(2-methylpropylamino)propan-2-ol;2-methyl-2-(2-methylpropylamino)propan-1-ol;2-methyl-N-(2-methylpropyl)-2-morpholin-4-ylpropan-1-amine;2-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]propan-1-amine;2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine;2-(2-methylpropylamino)ethanol;2-methyl-N-(2-pyridazin-3-ylethyl)propan-1-amine;2-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine;2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-1-amine;2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide

C169H337F3N30O10S2 — CID 157159064

IUPACN-(1-cyclopropylethyl)-2-methylpropan-1-amine;2,3-dimethylbutan-2-ol;2,2-dimethyl-N-[2-(2-methylpropylamino)ethyl]propanamide;2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methylpropan-1-amine;2-methyl-N-[2-(4-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine;2-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-1-amine;2-methyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine;2-methyl-1-(2-methylpropylamino)propan-2-ol;2-methyl-2-(2-methylpropylamino)propan-1-ol;2-methyl-N-(2-methylpropyl)-2-morpholin-4-ylpropan-1-amine;2-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]propan-1-amine;2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine;2-(2-methylpropylamino)ethanol;2-methyl-N-(2-pyridazin-3-ylethyl)propan-1-amine;2-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine;2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-1-amine;2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide
SMILESCC(C)C(C)(C)O.CC(C)CNC(C)(C)CO.CC(C)CNC(C)C1CC1.CC(C)CNCC(C)(C)C.CC(C)CNCC(C)(C)N1CCOCC1.CC(C)CNCC(C)(C)O.CC(C)CNCC1(C)COC1.CC(C)CNCCNC(=O)C(C)(C)C.CC(C)CNCCNC(=O)C(F)(F)F.CC(C)CNCCO.CC(C)CNCCc1ccccn1.CC(C)CNCCc1cccnn1.CC(C)CNCCc1nccs1.Cc1cc(C)n(CCNCC(C)C)n1.Cc1cc(CCNCC(C)C)no1.Cc1cccc(CCNCC(C)C)n1.Cc1coc(CCNCC(C)C)n1.Cc1csc(CCNCC(C)C)n1
InChIInChI=1S/C12H26N2O.C12H20N2.C11H21N3.C11H24N2O.C11H18N2.C10H17N3.2C10H18N2O.C10H18N2S.C9H16N2S.C9H19NO.C9H19N.C9H21N.C8H15F3N2O.2C8H19NO.C6H15NO.C6H14O/c1-11(2)9-13-10-12(3,4)14-5-7-15-8-6-14;1-10(2)9-13-8-7-12-6-4-5-11(3)14-12;1-9(2)8-12-5-6-14-11(4)7-10(3)13-14;1-9(2)8-12-6-7-13-10(14)11(3,4)5;1-10(2)9-12-8-6-11-5-3-4-7-13-11;1-9(2)8-11-7-5-10-4-3-6-12-13-10;1-8(2)7-11-5-4-10-6-9(3)13-12-10;2*1-8(2)6-11-5-4-10-12-9(3)7-13-10;1-8(2)7-10-4-3-9-11-5-6-12-9;1-8(2)4-10-5-9(3)6-11-7-9;1-7(2)6-10-8(3)9-4-5-9;1-8(2)6-10-7-9(3,4)5;1-6(2)5-12-3-4-13-7(14)8(9,10)11;1-7(2)5-9-8(3,4)6-10;1-7(2)5-9-6-8(3,4)10;1-6(2)5-7-3-4-8;1-5(2)6(3,4)7/h11,13H,5-10H2,1-4H3;4-6,10,13H,7-9H2,1-3H3;7,9,12H,5-6,8H2,1-4H3;9,12H,6-8H2,1-5H3,(H,13,14);3-5,7,10,12H,6,8-9H2,1-2H3;3-4,6,9,11H,5,7-8H2,1-2H3;6,8,11H,4-5,7H2,1-3H3;2*7-8,11H,4-6H2,1-3H3;5-6,8,10H,3-4,7H2,1-2H3;8,10H,4-7H2,1-3H3;7-10H,4-6H2,1-3H3;8,10H,6-7H2,1-5H3;6,12H,3-5H2,1-2H3,(H,13,14);2*7,9-10H,5-6H2,1-4H3;6-8H,3-5H2,1-2H3;5,7H,1-4H3
InChIKeyAMDSHZBQFFDGJG-UHFFFAOYSA-N
MW3070.88 g/mol
LogP27.64
Rot. Bonds79

About N-(1-cyclopropylethyl)-2-methylpropan-1-amine;2,3-dimethylbutan-2-ol;2,2-dimethyl-N-[2-(2-methylpropylamino)ethyl]propanamide;2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methylpropan-1-amine;2-methyl-N-[2-(4-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine;2-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-1-amine;2-methyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine;2-methyl-1-(2-methylpropylamino)propan-2-ol;2-methyl-2-(2-methylpropylamino)propan-1-ol;2-methyl-N-(2-methylpropyl)-2-morpholin-4-ylpropan-1-amine;2-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]propan-1-amine;2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine;2-(2-methylpropylamino)ethanol;2-methyl-N-(2-pyridazin-3-ylethyl)propan-1-amine;2-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine;2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-1-amine;2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide

N-(1-cyclopropylethyl)-2-methylpropan-1-amine;2,3-dimethylbutan-2-ol;2,2-dimethyl-N-[2-(2-methylpropylamino)ethyl]propanamide;2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methylpropan-1-amine;2-methyl-N-[2-(4-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine;2-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-1-amine;2-methyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine;2-methyl-1-(2-methylpropylamino)propan-2-ol;2-methyl-2-(2-methylpropylamino)propan-1-ol;2-methyl-N-(2-methylpropyl)-2-morpholin-4-ylpropan-1-amine;2-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]propan-1-amine;2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine;2-(2-methylpropylamino)ethanol;2-methyl-N-(2-pyridazin-3-ylethyl)propan-1-amine;2-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine;2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-1-amine;2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide (PubChem CID 157159064) has the molecular formula C169H337F3N30O10S2 and a molecular weight of 3070.88 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-methylpropan-1-amine;2,3-dimethylbutan-2-ol;2,2-dimethyl-N-[2-(2-methylpropylamino)ethyl]propanamide;2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methylpropan-1-amine;2-methyl-N-[2-(4-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine;2-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-1-amine;2-methyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine;2-methyl-1-(2-methylpropylamino)propan-2-ol;2-methyl-2-(2-methylpropylamino)propan-1-ol;2-methyl-N-(2-methylpropyl)-2-morpholin-4-ylpropan-1-amine;2-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]propan-1-amine;2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine;2-(2-methylpropylamino)ethanol;2-methyl-N-(2-pyridazin-3-ylethyl)propan-1-amine;2-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine;2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-1-amine;2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-methylpropan-1-amine;2,3-dimethylbutan-2-ol;2,2-dimethyl-N-[2-(2-methylpropylamino)ethyl]propanamide;2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methylpropan-1-amine;2-methyl-N-[2-(4-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine;2-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-1-amine;2-methyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine;2-methyl-1-(2-methylpropylamino)propan-2-ol;2-methyl-2-(2-methylpropylamino)propan-1-ol;2-methyl-N-(2-methylpropyl)-2-morpholin-4-ylpropan-1-amine;2-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]propan-1-amine;2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine;2-(2-methylpropylamino)ethanol;2-methyl-N-(2-pyridazin-3-ylethyl)propan-1-amine;2-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine;2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-1-amine;2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide
PubChem CID157159064
Molecular FormulaC169H337F3N30O10S2
Molecular Weight3070.88 g/mol
Exact Mass3068.62
IUPAC NameN-(1-cyclopropylethyl)-2-methylpropan-1-amine;2,3-dimethylbutan-2-ol;2,2-dimethyl-N-[2-(2-methylpropylamino)ethyl]propanamide;2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methylpropan-1-amine;2-methyl-N-[2-(4-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine;2-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-1-amine;2-methyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine;2-methyl-1-(2-methylpropylamino)propan-2-ol;2-methyl-2-(2-methylpropylamino)propan-1-ol;2-methyl-N-(2-methylpropyl)-2-morpholin-4-ylpropan-1-amine;2-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]propan-1-amine;2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine;2-(2-methylpropylamino)ethanol;2-methyl-N-(2-pyridazin-3-ylethyl)propan-1-amine;2-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine;2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-1-amine;2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide
SMILESCC(C)C(C)(C)O.CC(C)CNC(C)(C)CO.CC(C)CNC(C)C1CC1.CC(C)CNCC(C)(C)C.CC(C)CNCC(C)(C)N1CCOCC1.CC(C)CNCC(C)(C)O.CC(C)CNCC1(C)COC1.CC(C)CNCCNC(=O)C(C)(C)C.CC(C)CNCCNC(=O)C(F)(F)F.CC(C)CNCCO.CC(C)CNCCc1ccccn1.CC(C)CNCCc1cccnn1.CC(C)CNCCc1nccs1.Cc1cc(C)n(CCNCC(C)C)n1.Cc1cc(CCNCC(C)C)no1.Cc1cccc(CCNCC(C)C)n1.Cc1coc(CCNCC(C)C)n1.Cc1csc(CCNCC(C)C)n1
InChIInChI=1S/C12H26N2O.C12H20N2.C11H21N3.C11H24N2O.C11H18N2.C10H17N3.2C10H18N2O.C10H18N2S.C9H16N2S.C9H19NO.C9H19N.C9H21N.C8H15F3N2O.2C8H19NO.C6H15NO.C6H14O/c1-11(2)9-13-10-12(3,4)14-5-7-15-8-6-14;1-10(2)9-13-8-7-12-6-4-5-11(3)14-12;1-9(2)8-12-5-6-14-11(4)7-10(3)13-14;1-9(2)8-12-6-7-13-10(14)11(3,4)5;1-10(2)9-12-8-6-11-5-3-4-7-13-11;1-9(2)8-11-7-5-10-4-3-6-12-13-10;1-8(2)7-11-5-4-10-6-9(3)13-12-10;2*1-8(2)6-11-5-4-10-12-9(3)7-13-10;1-8(2)7-10-4-3-9-11-5-6-12-9;1-8(2)4-10-5-9(3)6-11-7-9;1-7(2)6-10-8(3)9-4-5-9;1-8(2)6-10-7-9(3,4)5;1-6(2)5-12-3-4-13-7(14)8(9,10)11;1-7(2)5-9-8(3,4)6-10;1-7(2)5-9-6-8(3,4)10;1-6(2)5-7-3-4-8;1-5(2)6(3,4)7/h11,13H,5-10H2,1-4H3;4-6,10,13H,7-9H2,1-3H3;7,9,12H,5-6,8H2,1-4H3;9,12H,6-8H2,1-5H3,(H,13,14);3-5,7,10,12H,6,8-9H2,1-2H3;3-4,6,9,11H,5,7-8H2,1-2H3;6,8,11H,4-5,7H2,1-3H3;2*7-8,11H,4-6H2,1-3H3;5-6,8,10H,3-4,7H2,1-2H3;8,10H,4-7H2,1-3H3;7-10H,4-6H2,1-3H3;8,10H,6-7H2,1-5H3;6,12H,3-5H2,1-2H3,(H,13,14);2*7,9-10H,5-6H2,1-4H3;6-8H,3-5H2,1-2H3;5,7H,1-4H3
InChIKeyAMDSHZBQFFDGJG-UHFFFAOYSA-N
XLogP27.64
TPSA512.55 Ų
H-Bond Donors23
H-Bond Acceptors40
Rotatable Bonds79
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003070.88
LogP ≤ 527.64
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(1-cyclopropylethyl)-2-methylpropan-1-amine;2,3-dimethylbutan-2-ol;2,2-dimethyl-N-[2-(2-methylpropylamino)ethyl]propanamide;2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methylpropan-1-amine;2-methyl-N-[2-(4-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine;2-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-1-amine;2-methyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine;2-methyl-1-(2-methylpropylamino)propan-2-ol;2-methyl-2-(2-methylpropylamino)propan-1-ol;2-methyl-N-(2-methylpropyl)-2-morpholin-4-ylpropan-1-amine;2-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]propan-1-amine;2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine;2-(2-methylpropylamino)ethanol;2-methyl-N-(2-pyridazin-3-ylethyl)propan-1-amine;2-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine;2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-1-amine;2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-methylpropan-1-amine;2,3-dimethylbutan-2-ol;2,2-dimethyl-N-[2-(2-methylpropylamino)ethyl]propanamide;2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methylpropan-1-amine;2-methyl-N-[2-(4-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine;2-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-1-amine;2-methyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine;2-methyl-1-(2-methylpropylamino)propan-2-ol;2-methyl-2-(2-methylpropylamino)propan-1-ol;2-methyl-N-(2-methylpropyl)-2-morpholin-4-ylpropan-1-amine;2-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]propan-1-amine;2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine;2-(2-methylpropylamino)ethanol;2-methyl-N-(2-pyridazin-3-ylethyl)propan-1-amine;2-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine;2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-1-amine;2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-methylpropan-1-amine;2,3-dimethylbutan-2-ol;2,2-dimethyl-N-[2-(2-methylpropylamino)ethyl]propanamide;2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methylpropan-1-amine;2-methyl-N-[2-(4-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine;2-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-1-amine;2-methyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine;2-methyl-1-(2-methylpropylamino)propan-2-ol;2-methyl-2-(2-methylpropylamino)propan-1-ol;2-methyl-N-(2-methylpropyl)-2-morpholin-4-ylpropan-1-amine;2-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]propan-1-amine;2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine;2-(2-methylpropylamino)ethanol;2-methyl-N-(2-pyridazin-3-ylethyl)propan-1-amine;2-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine;2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-1-amine;2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide (CID 157159064) is N-(1-cyclopropylethyl)-2-methylpropan-1-amine;2,3-dimethylbutan-2-ol;2,2-dimethyl-N-[2-(2-methylpropylamino)ethyl]propanamide;2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methylpropan-1-amine;2-methyl-N-[2-(4-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine;2-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-1-amine;2-methyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine;2-methyl-1-(2-methylpropylamino)propan-2-ol;2-methyl-2-(2-methylpropylamino)propan-1-ol;2-methyl-N-(2-methylpropyl)-2-morpholin-4-ylpropan-1-amine;2-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]propan-1-amine;2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine;2-(2-methylpropylamino)ethanol;2-methyl-N-(2-pyridazin-3-ylethyl)propan-1-amine;2-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine;2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-1-amine;2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-methylpropan-1-amine;2,3-dimethylbutan-2-ol;2,2-dimethyl-N-[2-(2-methylpropylamino)ethyl]propanamide;2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methylpropan-1-amine;2-methyl-N-[2-(4-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine;2-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-1-amine;2-methyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine;2-methyl-1-(2-methylpropylamino)propan-2-ol;2-methyl-2-(2-methylpropylamino)propan-1-ol;2-methyl-N-(2-methylpropyl)-2-morpholin-4-ylpropan-1-amine;2-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]propan-1-amine;2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine;2-(2-methylpropylamino)ethanol;2-methyl-N-(2-pyridazin-3-ylethyl)propan-1-amine;2-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine;2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-1-amine;2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-methylpropan-1-amine;2,3-dimethylbutan-2-ol;2,2-dimethyl-N-[2-(2-methylpropylamino)ethyl]propanamide;2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methylpropan-1-amine;2-methyl-N-[2-(4-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine;2-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-1-amine;2-methyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine;2-methyl-1-(2-methylpropylamino)propan-2-ol;2-methyl-2-(2-methylpropylamino)propan-1-ol;2-methyl-N-(2-methylpropyl)-2-morpholin-4-ylpropan-1-amine;2-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]propan-1-amine;2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine;2-(2-methylpropylamino)ethanol;2-methyl-N-(2-pyridazin-3-ylethyl)propan-1-amine;2-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine;2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-1-amine;2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide is CC(C)C(C)(C)O.CC(C)CNC(C)(C)CO.CC(C)CNC(C)C1CC1.CC(C)CNCC(C)(C)C.CC(C)CNCC(C)(C)N1CCOCC1.CC(C)CNCC(C)(C)O.CC(C)CNCC1(C)COC1.CC(C)CNCCNC(=O)C(C)(C)C.CC(C)CNCCNC(=O)C(F)(F)F.CC(C)CNCCO.CC(C)CNCCc1ccccn1.CC(C)CNCCc1cccnn1.CC(C)CNCCc1nccs1.Cc1cc(C)n(CCNCC(C)C)n1.Cc1cc(CCNCC(C)C)no1.Cc1cccc(CCNCC(C)C)n1.Cc1coc(CCNCC(C)C)n1.Cc1csc(CCNCC(C)C)n1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-methylpropan-1-amine;2,3-dimethylbutan-2-ol;2,2-dimethyl-N-[2-(2-methylpropylamino)ethyl]propanamide;2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methylpropan-1-amine;2-methyl-N-[2-(4-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine;2-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-1-amine;2-methyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine;2-methyl-1-(2-methylpropylamino)propan-2-ol;2-methyl-2-(2-methylpropylamino)propan-1-ol;2-methyl-N-(2-methylpropyl)-2-morpholin-4-ylpropan-1-amine;2-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]propan-1-amine;2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine;2-(2-methylpropylamino)ethanol;2-methyl-N-(2-pyridazin-3-ylethyl)propan-1-amine;2-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine;2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-1-amine;2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide?
The InChIKey is AMDSHZBQFFDGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O.C12H20N2.C11H21N3.C11H24N2O.C11H18N2.C10H17N3.2C10H18N2O.C10H18N2S.C9H16N2S.C9H19NO.C9H19N.C9H21N.C8H15F3N2O.2C8H19NO.C6H15NO.C6H14O/c1-11(2)9-13-10-12(3,4)14-5-7-15-8-6-14;1-10(2)9-13-8-7-12-6-4-5-11(3)14-12;1-9(2)8-12-5-6-14-11(4)7-10(3)13-14;1-9(2)8-12-6-7-13-10(14)11(3,4)5;1-10(2)9-12-8-6-11-5-3-4-7-13-11;1-9(2)8-11-7-5-10-4-3-6-12-13-10;1-8(2)7-11-5-4-10-6-9(3)13-12-10;2*1-8(2)6-11-5-4-10-12-9(3)7-13-10;1-8(2)7-10-4-3-9-11-5-6-12-9;1-8(2)4-10-5-9(3)6-11-7-9;1-7(2)6-10-8(3)9-4-5-9;1-8(2)6-10-7-9(3,4)5;1-6(2)5-12-3-4-13-7(14)8(9,10)11;1-7(2)5-9-8(3,4)6-10;1-7(2)5-9-6-8(3,4)10;1-6(2)5-7-3-4-8;1-5(2)6(3,4)7/h11,13H,5-10H2,1-4H3;4-6,10,13H,7-9H2,1-3H3;7,9,12H,5-6,8H2,1-4H3;9,12H,6-8H2,1-5H3,(H,13,14);3-5,7,10,12H,6,8-9H2,1-2H3;3-4,6,9,11H,5,7-8H2,1-2H3;6,8,11H,4-5,7H2,1-3H3;2*7-8,11H,4-6H2,1-3H3;5-6,8,10H,3-4,7H2,1-2H3;8,10H,4-7H2,1-3H3;7-10H,4-6H2,1-3H3;8,10H,6-7H2,1-5H3;6,12H,3-5H2,1-2H3,(H,13,14);2*7,9-10H,5-6H2,1-4H3;6-8H,3-5H2,1-2H3;5,7H,1-4H3.
What are the key properties of N-(1-cyclopropylethyl)-2-methylpropan-1-amine;2,3-dimethylbutan-2-ol;2,2-dimethyl-N-[2-(2-methylpropylamino)ethyl]propanamide;2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methylpropan-1-amine;2-methyl-N-[2-(4-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine;2-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-1-amine;2-methyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine;2-methyl-1-(2-methylpropylamino)propan-2-ol;2-methyl-2-(2-methylpropylamino)propan-1-ol;2-methyl-N-(2-methylpropyl)-2-morpholin-4-ylpropan-1-amine;2-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]propan-1-amine;2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine;2-(2-methylpropylamino)ethanol;2-methyl-N-(2-pyridazin-3-ylethyl)propan-1-amine;2-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine;2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-1-amine;2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide?
N-(1-cyclopropylethyl)-2-methylpropan-1-amine;2,3-dimethylbutan-2-ol;2,2-dimethyl-N-[2-(2-methylpropylamino)ethyl]propanamide;2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methylpropan-1-amine;2-methyl-N-[2-(4-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine;2-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-1-amine;2-methyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine;2-methyl-1-(2-methylpropylamino)propan-2-ol;2-methyl-2-(2-methylpropylamino)propan-1-ol;2-methyl-N-(2-methylpropyl)-2-morpholin-4-ylpropan-1-amine;2-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]propan-1-amine;2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine;2-(2-methylpropylamino)ethanol;2-methyl-N-(2-pyridazin-3-ylethyl)propan-1-amine;2-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine;2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-1-amine;2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide has a molecular weight of 3070.88 g/mol, XLogP of 27.64, 79 rotatable bonds, 23 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-methylpropan-1-amine;2,3-dimethylbutan-2-ol;2,2-dimethyl-N-[2-(2-methylpropylamino)ethyl]propanamide;2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methylpropan-1-amine;2-methyl-N-[2-(4-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine;2-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-1-amine;2-methyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine;2-methyl-1-(2-methylpropylamino)propan-2-ol;2-methyl-2-(2-methylpropylamino)propan-1-ol;2-methyl-N-(2-methylpropyl)-2-morpholin-4-ylpropan-1-amine;2-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]propan-1-amine;2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine;2-(2-methylpropylamino)ethanol;2-methyl-N-(2-pyridazin-3-ylethyl)propan-1-amine;2-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine;2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-1-amine;2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide is sourced from PubChem (CID 157159064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).