2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylthiophene;N-(2-cyanoethyl)-N-cyclopropyl-2,2-dimethylpropanamide;N-(2-cyanoethyl)-2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N,N-bis(2-methylpropyl)propanamide;2,4-dimethylpentan-3-ol;1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide;4-(2,2-dimethylpropyl)morpholine;N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide;N-[2-[di(propan-2-yl)amino]ethyl]-2,2-dimethylpropanamide;N-(furan-2-ylmethyl)-N,2,2-trimethylpropanamide;N-methoxy-N,2-dimethylpropanamide;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one

C144H263N23O15S — CID 159805587

IUPAC2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylthiophene;N-(2-cyanoethyl)-N-cyclopropyl-2,2-dimethylpropanamide;N-(2-cyanoethyl)-2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N,N-bis(2-methylpropyl)propanamide;2,4-dimethylpentan-3-ol;1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide;4-(2,2-dimethylpropyl)morpholine;N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide;N-[2-[di(propan-2-yl)amino]ethyl]-2,2-dimethylpropanamide;N-(furan-2-ylmethyl)-N,2,2-trimethylpropanamide;N-methoxy-N,2-dimethylpropanamide;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)(C)C(=O)N(CCC#N)C1CC1.CC(C)(C)C(=O)N(CCC#N)c1ccccc1.CC(C)(C)C(=O)N1CCCC1C(N)=O.CC(C)(C)CN1CCOCC1.CC(C)(C)c1cccs1.CC(C)C(=O)N1CCCC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)C(O)C(C)C.CC(C)CN(CC(C)C)C(=O)C(C)(C)C.CC(C)N(CCNC(=O)C(C)(C)C)C(C)C.CN(Cc1ccco1)C(=O)C(C)(C)C.CON(C)C(=O)C(C)C.Cc1cc(NC(=O)C(C)(C)C)n(C)n1.Cn1ccnc1C(C)(C)C.Cn1ncnc1C(C)(C)C
InChIInChI=1S/C14H18N2O.C13H28N2O.C13H27NO.C11H18N2O.C11H17NO2.C10H17N3O.C10H18N2O2.C9H18N2O.C9H19NO.C8H14N2.C8H15NO.C8H12S.C7H13N3.C7H16O.C6H13NO2/c1-14(2,3)13(17)16(11-7-10-15)12-8-5-4-6-9-12;1-10(2)15(11(3)4)9-8-14-12(16)13(5,6)7;1-10(2)8-14(9-11(3)4)12(15)13(5,6)7;1-11(2,3)10(14)13(8-4-7-12)9-5-6-9;1-11(2,3)10(13)12(4)8-9-6-5-7-14-9;1-7-6-8(13(5)12-7)11-9(14)10(2,3)4;1-10(2,3)9(14)12-6-4-5-7(12)8(11)13;1-8(2)9(12)11-6-4-10(3)5-7-11;1-9(2,3)8-10-4-6-11-7-5-10;1-8(2,3)7-9-5-6-10(7)4;1-7(2)8(10)9-5-3-4-6-9;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-5-9-10(6)4;1-5(2)7(8)6(3)4;1-5(2)6(8)7(3)9-4/h4-6,8-9H,7,11H2,1-3H3;10-11H,8-9H2,1-7H3,(H,14,16);10-11H,8-9H2,1-7H3;9H,4-6,8H2,1-3H3;5-7H,8H2,1-4H3;6H,1-5H3,(H,11,14);7H,4-6H2,1-3H3,(H2,11,13);8H,4-7H2,1-3H3;4-8H2,1-3H3;5-6H,1-4H3;7H,3-6H2,1-2H3;4-6H,1-3H3;5H,1-4H3;5-8H,1-4H3;5H,1-4H3
InChIKeyNKIQRSKRKLUYEI-UHFFFAOYSA-N
MW2588.90 g/mol
LogP26.11
Rot. Bonds26

About 2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylthiophene;N-(2-cyanoethyl)-N-cyclopropyl-2,2-dimethylpropanamide;N-(2-cyanoethyl)-2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N,N-bis(2-methylpropyl)propanamide;2,4-dimethylpentan-3-ol;1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide;4-(2,2-dimethylpropyl)morpholine;N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide;N-[2-[di(propan-2-yl)amino]ethyl]-2,2-dimethylpropanamide;N-(furan-2-ylmethyl)-N,2,2-trimethylpropanamide;N-methoxy-N,2-dimethylpropanamide;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one

2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylthiophene;N-(2-cyanoethyl)-N-cyclopropyl-2,2-dimethylpropanamide;N-(2-cyanoethyl)-2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N,N-bis(2-methylpropyl)propanamide;2,4-dimethylpentan-3-ol;1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide;4-(2,2-dimethylpropyl)morpholine;N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide;N-[2-[di(propan-2-yl)amino]ethyl]-2,2-dimethylpropanamide;N-(furan-2-ylmethyl)-N,2,2-trimethylpropanamide;N-methoxy-N,2-dimethylpropanamide;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 159805587) has the molecular formula C144H263N23O15S and a molecular weight of 2588.90 g/mol. Its IUPAC name is 2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylthiophene;N-(2-cyanoethyl)-N-cyclopropyl-2,2-dimethylpropanamide;N-(2-cyanoethyl)-2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N,N-bis(2-methylpropyl)propanamide;2,4-dimethylpentan-3-ol;1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide;4-(2,2-dimethylpropyl)morpholine;N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide;N-[2-[di(propan-2-yl)amino]ethyl]-2,2-dimethylpropanamide;N-(furan-2-ylmethyl)-N,2,2-trimethylpropanamide;N-methoxy-N,2-dimethylpropanamide;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylthiophene;N-(2-cyanoethyl)-N-cyclopropyl-2,2-dimethylpropanamide;N-(2-cyanoethyl)-2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N,N-bis(2-methylpropyl)propanamide;2,4-dimethylpentan-3-ol;1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide;4-(2,2-dimethylpropyl)morpholine;N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide;N-[2-[di(propan-2-yl)amino]ethyl]-2,2-dimethylpropanamide;N-(furan-2-ylmethyl)-N,2,2-trimethylpropanamide;N-methoxy-N,2-dimethylpropanamide;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID159805587
Molecular FormulaC144H263N23O15S
Molecular Weight2588.90 g/mol
Exact Mass2587.02
IUPAC Name2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylthiophene;N-(2-cyanoethyl)-N-cyclopropyl-2,2-dimethylpropanamide;N-(2-cyanoethyl)-2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N,N-bis(2-methylpropyl)propanamide;2,4-dimethylpentan-3-ol;1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide;4-(2,2-dimethylpropyl)morpholine;N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide;N-[2-[di(propan-2-yl)amino]ethyl]-2,2-dimethylpropanamide;N-(furan-2-ylmethyl)-N,2,2-trimethylpropanamide;N-methoxy-N,2-dimethylpropanamide;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)(C)C(=O)N(CCC#N)C1CC1.CC(C)(C)C(=O)N(CCC#N)c1ccccc1.CC(C)(C)C(=O)N1CCCC1C(N)=O.CC(C)(C)CN1CCOCC1.CC(C)(C)c1cccs1.CC(C)C(=O)N1CCCC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)C(O)C(C)C.CC(C)CN(CC(C)C)C(=O)C(C)(C)C.CC(C)N(CCNC(=O)C(C)(C)C)C(C)C.CN(Cc1ccco1)C(=O)C(C)(C)C.CON(C)C(=O)C(C)C.Cc1cc(NC(=O)C(C)(C)C)n(C)n1.Cn1ccnc1C(C)(C)C.Cn1ncnc1C(C)(C)C
InChIInChI=1S/C14H18N2O.C13H28N2O.C13H27NO.C11H18N2O.C11H17NO2.C10H17N3O.C10H18N2O2.C9H18N2O.C9H19NO.C8H14N2.C8H15NO.C8H12S.C7H13N3.C7H16O.C6H13NO2/c1-14(2,3)13(17)16(11-7-10-15)12-8-5-4-6-9-12;1-10(2)15(11(3)4)9-8-14-12(16)13(5,6)7;1-10(2)8-14(9-11(3)4)12(15)13(5,6)7;1-11(2,3)10(14)13(8-4-7-12)9-5-6-9;1-11(2,3)10(13)12(4)8-9-6-5-7-14-9;1-7-6-8(13(5)12-7)11-9(14)10(2,3)4;1-10(2,3)9(14)12-6-4-5-7(12)8(11)13;1-8(2)9(12)11-6-4-10(3)5-7-11;1-9(2,3)8-10-4-6-11-7-5-10;1-8(2,3)7-9-5-6-10(7)4;1-7(2)8(10)9-5-3-4-6-9;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-5-9-10(6)4;1-5(2)7(8)6(3)4;1-5(2)6(8)7(3)9-4/h4-6,8-9H,7,11H2,1-3H3;10-11H,8-9H2,1-7H3,(H,14,16);10-11H,8-9H2,1-7H3;9H,4-6,8H2,1-3H3;5-7H,8H2,1-4H3;6H,1-5H3,(H,11,14);7H,4-6H2,1-3H3,(H2,11,13);8H,4-7H2,1-3H3;4-8H2,1-3H3;5-6H,1-4H3;7H,3-6H2,1-2H3;4-6H,1-3H3;5H,1-4H3;5-8H,1-4H3;5H,1-4H3
InChIKeyNKIQRSKRKLUYEI-UHFFFAOYSA-N
XLogP26.11
TPSA439.25 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds26
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002588.90
LogP ≤ 526.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylthiophene;N-(2-cyanoethyl)-N-cyclopropyl-2,2-dimethylpropanamide;N-(2-cyanoethyl)-2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N,N-bis(2-methylpropyl)propanamide;2,4-dimethylpentan-3-ol;1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide;4-(2,2-dimethylpropyl)morpholine;N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide;N-[2-[di(propan-2-yl)amino]ethyl]-2,2-dimethylpropanamide;N-(furan-2-ylmethyl)-N,2,2-trimethylpropanamide;N-methoxy-N,2-dimethylpropanamide;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one with MolForge

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Related Compounds

N-benzyl-2,2-dimethylpropanamide;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylthiophene;N-(2-cyanoethyl)-N-cyclopropyl-2,2-dimethylpropanamide;N-(2-cyanoethyl)-2,2-dimethyl-N-phenylpropanamide;N,N-diethyl-2,2-dimethylpropanamide;2,2-dimethyl-N,N-bis(2-methylpropyl)propanamide;3,3-dimethylbutan-2-ol;2,4-dimethylpentan-3-ol;1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide;4-(2,2-dimethylpropyl)morpholine;N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide;N-[2-[di(propan-2-yl)amino]ethyl]-2,2-dimethylpropanamide;N-(4-ethylphenyl)-2-methylpropanamide;N-(furan-2-ylmethyl)-N,2,2-trimethylpropanamide;N-methoxy-N,2-dimethylpropanamide;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 158403002
N-benzyl-2,2-dimethylpropanamide;N,N-bis(2-methoxyethyl)-2,2-dimethylpropanamide;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylthiophene;N-(2-cyanoethyl)-N-cyclopropyl-2,2-dimethylpropanamide;N-(2-cyanoethyl)-2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N,N-bis(2-methylpropyl)propanamide;1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide;4-(2,2-dimethylpropyl)morpholine;N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide;N-[2-[di(propan-2-yl)amino]ethyl]-2,2-dimethylpropanamide;N-(furan-2-ylmethyl)-N,2,2-trimethylpropanamide
CID 158684809
N-benzyl-2,2-dimethylpropanamide;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylthiophene;N-(2-cyanoethyl)-N-cyclopropyl-2,2-dimethylpropanamide;N-(2-cyanoethyl)-2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N,N-bis(2-methylpropyl)propanamide;2,4-dimethylpentan-3-ol;1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide;4-(2,2-dimethylpropyl)morpholine;N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide;N-[2-[di(propan-2-yl)amino]ethyl]-2,2-dimethylpropanamide;N-(4-ethylphenyl)-2-methylpropanamide;N-(furan-2-ylmethyl)-N,2,2-trimethylpropanamide;N-methoxy-N,2-dimethylpropanamide;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 161498957
N-benzyl-2,2-dimethylpropanamide;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylthiophene;N-(2-cyanoethyl)-N-cyclopropyl-2,2-dimethylpropanamide;N-(2-cyanoethyl)-2,2-dimethyl-N-phenylpropanamide;N,N-diethyl-2,2-dimethylpropanamide;2,2-dimethyl-N,N-bis(2-methylpropyl)propanamide;3,3-dimethylbutan-2-ol;2,4-dimethylpentan-3-ol;1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide;4-(2,2-dimethylpropyl)morpholine;N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide;N-[2-[di(propan-2-yl)amino]ethyl]-2,2-dimethylpropanamide;N-(4-ethylphenyl)-2-methylpropanamide;N-(furan-2-ylmethyl)-N,2,2-trimethylpropanamide;N-methoxy-N,2-dimethylpropanamide;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one;N,2,2-trimethylpropanamide
CID 161558543

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylthiophene;N-(2-cyanoethyl)-N-cyclopropyl-2,2-dimethylpropanamide;N-(2-cyanoethyl)-2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N,N-bis(2-methylpropyl)propanamide;2,4-dimethylpentan-3-ol;1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide;4-(2,2-dimethylpropyl)morpholine;N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide;N-[2-[di(propan-2-yl)amino]ethyl]-2,2-dimethylpropanamide;N-(furan-2-ylmethyl)-N,2,2-trimethylpropanamide;N-methoxy-N,2-dimethylpropanamide;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylthiophene;N-(2-cyanoethyl)-N-cyclopropyl-2,2-dimethylpropanamide;N-(2-cyanoethyl)-2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N,N-bis(2-methylpropyl)propanamide;2,4-dimethylpentan-3-ol;1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide;4-(2,2-dimethylpropyl)morpholine;N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide;N-[2-[di(propan-2-yl)amino]ethyl]-2,2-dimethylpropanamide;N-(furan-2-ylmethyl)-N,2,2-trimethylpropanamide;N-methoxy-N,2-dimethylpropanamide;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one (CID 159805587) is 2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylthiophene;N-(2-cyanoethyl)-N-cyclopropyl-2,2-dimethylpropanamide;N-(2-cyanoethyl)-2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N,N-bis(2-methylpropyl)propanamide;2,4-dimethylpentan-3-ol;1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide;4-(2,2-dimethylpropyl)morpholine;N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide;N-[2-[di(propan-2-yl)amino]ethyl]-2,2-dimethylpropanamide;N-(furan-2-ylmethyl)-N,2,2-trimethylpropanamide;N-methoxy-N,2-dimethylpropanamide;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylthiophene;N-(2-cyanoethyl)-N-cyclopropyl-2,2-dimethylpropanamide;N-(2-cyanoethyl)-2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N,N-bis(2-methylpropyl)propanamide;2,4-dimethylpentan-3-ol;1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide;4-(2,2-dimethylpropyl)morpholine;N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide;N-[2-[di(propan-2-yl)amino]ethyl]-2,2-dimethylpropanamide;N-(furan-2-ylmethyl)-N,2,2-trimethylpropanamide;N-methoxy-N,2-dimethylpropanamide;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylthiophene;N-(2-cyanoethyl)-N-cyclopropyl-2,2-dimethylpropanamide;N-(2-cyanoethyl)-2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N,N-bis(2-methylpropyl)propanamide;2,4-dimethylpentan-3-ol;1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide;4-(2,2-dimethylpropyl)morpholine;N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide;N-[2-[di(propan-2-yl)amino]ethyl]-2,2-dimethylpropanamide;N-(furan-2-ylmethyl)-N,2,2-trimethylpropanamide;N-methoxy-N,2-dimethylpropanamide;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one is CC(C)(C)C(=O)N(CCC#N)C1CC1.CC(C)(C)C(=O)N(CCC#N)c1ccccc1.CC(C)(C)C(=O)N1CCCC1C(N)=O.CC(C)(C)CN1CCOCC1.CC(C)(C)c1cccs1.CC(C)C(=O)N1CCCC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)C(O)C(C)C.CC(C)CN(CC(C)C)C(=O)C(C)(C)C.CC(C)N(CCNC(=O)C(C)(C)C)C(C)C.CN(Cc1ccco1)C(=O)C(C)(C)C.CON(C)C(=O)C(C)C.Cc1cc(NC(=O)C(C)(C)C)n(C)n1.Cn1ccnc1C(C)(C)C.Cn1ncnc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylthiophene;N-(2-cyanoethyl)-N-cyclopropyl-2,2-dimethylpropanamide;N-(2-cyanoethyl)-2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N,N-bis(2-methylpropyl)propanamide;2,4-dimethylpentan-3-ol;1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide;4-(2,2-dimethylpropyl)morpholine;N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide;N-[2-[di(propan-2-yl)amino]ethyl]-2,2-dimethylpropanamide;N-(furan-2-ylmethyl)-N,2,2-trimethylpropanamide;N-methoxy-N,2-dimethylpropanamide;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is NKIQRSKRKLUYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.C13H28N2O.C13H27NO.C11H18N2O.C11H17NO2.C10H17N3O.C10H18N2O2.C9H18N2O.C9H19NO.C8H14N2.C8H15NO.C8H12S.C7H13N3.C7H16O.C6H13NO2/c1-14(2,3)13(17)16(11-7-10-15)12-8-5-4-6-9-12;1-10(2)15(11(3)4)9-8-14-12(16)13(5,6)7;1-10(2)8-14(9-11(3)4)12(15)13(5,6)7;1-11(2,3)10(14)13(8-4-7-12)9-5-6-9;1-11(2,3)10(13)12(4)8-9-6-5-7-14-9;1-7-6-8(13(5)12-7)11-9(14)10(2,3)4;1-10(2,3)9(14)12-6-4-5-7(12)8(11)13;1-8(2)9(12)11-6-4-10(3)5-7-11;1-9(2,3)8-10-4-6-11-7-5-10;1-8(2,3)7-9-5-6-10(7)4;1-7(2)8(10)9-5-3-4-6-9;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-5-9-10(6)4;1-5(2)7(8)6(3)4;1-5(2)6(8)7(3)9-4/h4-6,8-9H,7,11H2,1-3H3;10-11H,8-9H2,1-7H3,(H,14,16);10-11H,8-9H2,1-7H3;9H,4-6,8H2,1-3H3;5-7H,8H2,1-4H3;6H,1-5H3,(H,11,14);7H,4-6H2,1-3H3,(H2,11,13);8H,4-7H2,1-3H3;4-8H2,1-3H3;5-6H,1-4H3;7H,3-6H2,1-2H3;4-6H,1-3H3;5H,1-4H3;5-8H,1-4H3;5H,1-4H3.
What are the key properties of 2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylthiophene;N-(2-cyanoethyl)-N-cyclopropyl-2,2-dimethylpropanamide;N-(2-cyanoethyl)-2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N,N-bis(2-methylpropyl)propanamide;2,4-dimethylpentan-3-ol;1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide;4-(2,2-dimethylpropyl)morpholine;N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide;N-[2-[di(propan-2-yl)amino]ethyl]-2,2-dimethylpropanamide;N-(furan-2-ylmethyl)-N,2,2-trimethylpropanamide;N-methoxy-N,2-dimethylpropanamide;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one?
2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylthiophene;N-(2-cyanoethyl)-N-cyclopropyl-2,2-dimethylpropanamide;N-(2-cyanoethyl)-2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N,N-bis(2-methylpropyl)propanamide;2,4-dimethylpentan-3-ol;1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide;4-(2,2-dimethylpropyl)morpholine;N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide;N-[2-[di(propan-2-yl)amino]ethyl]-2,2-dimethylpropanamide;N-(furan-2-ylmethyl)-N,2,2-trimethylpropanamide;N-methoxy-N,2-dimethylpropanamide;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 2588.90 g/mol, XLogP of 26.11, 26 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylthiophene;N-(2-cyanoethyl)-N-cyclopropyl-2,2-dimethylpropanamide;N-(2-cyanoethyl)-2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N,N-bis(2-methylpropyl)propanamide;2,4-dimethylpentan-3-ol;1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide;4-(2,2-dimethylpropyl)morpholine;N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide;N-[2-[di(propan-2-yl)amino]ethyl]-2,2-dimethylpropanamide;N-(furan-2-ylmethyl)-N,2,2-trimethylpropanamide;N-methoxy-N,2-dimethylpropanamide;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 159805587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).