3-(tert-butylamino)propane-1,2-diol;tert-butylcyclopentane;N-tert-butylcyclopropanamine;2-tert-butylfuran;N-tert-butyl-N-methylcyclopropanamine;1-tert-butyl-1-methylidene-1λ5-phospholane;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;3-tert-butyloxolane;4-tert-butyl-1H-pyrazole;1-(4-tert-butylpyrazol-1-yl)ethanone;1-tert-butylpyrrole;1-tert-butylpyrrolidine;5-tert-butyl-5H-tetrazole;4-tert-butyl-1,3-thiazole;4-(3,3-dimethylbut-1-ynyl)benzonitrile;4-(3,3-dimethylbut-1-ynyl)-N,N-dimethylaniline;3-(3,3-dimethylbut-1-ynyl)imidazo[1,2-b]pyridazine;4-(3,3-dimethylbut-1-ynyl)-5-methylbenzene-1,3-diol;2-(3,3-dimethylbut-1-ynyl)pyridine;4-(3,3-dimethylbut-1-ynyl)pyridine;8-(3,3-dimethylbut-1-ynyl)quinoline;N,2-dimethyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine

C220H360N27O8PS — CID 165072279

IUPAC3-(tert-butylamino)propane-1,2-diol;tert-butylcyclopentane;N-tert-butylcyclopropanamine;2-tert-butylfuran;N-tert-butyl-N-methylcyclopropanamine;1-tert-butyl-1-methylidene-1λ5-phospholane;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;3-tert-butyloxolane;4-tert-butyl-1H-pyrazole;1-(4-tert-butylpyrazol-1-yl)ethanone;1-tert-butylpyrrole;1-tert-butylpyrrolidine;5-tert-butyl-5H-tetrazole;4-tert-butyl-1,3-thiazole;4-(3,3-dimethylbut-1-ynyl)benzonitrile;4-(3,3-dimethylbut-1-ynyl)-N,N-dimethylaniline;3-(3,3-dimethylbut-1-ynyl)imidazo[1,2-b]pyridazine;4-(3,3-dimethylbut-1-ynyl)-5-methylbenzene-1,3-diol;2-(3,3-dimethylbut-1-ynyl)pyridine;4-(3,3-dimethylbut-1-ynyl)pyridine;8-(3,3-dimethylbut-1-ynyl)quinoline;N,2-dimethyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine
SMILESC=P1(C(C)(C)C)CCCC1.CC(=O)n1cc(C(C)(C)C)cn1.CC(C)(C)C#Cc1ccc(C#N)cc1.CC(C)(C)C#Cc1cccc2cccnc12.CC(C)(C)C#Cc1ccccn1.CC(C)(C)C#Cc1ccncc1.CC(C)(C)C#Cc1cnc2cccnn12.CC(C)(C)C1CCCC1.CC(C)(C)C1CCOC1.CC(C)(C)C1N=NN=N1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)NC1CC1.CC(C)(C)NCC(O)CO.CC(C)(C)c1ccco1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cscn1.CC(C)(C)n1cccc1.CC(C)N(C)C(C)(C)C.CC(C)NC(C)(C)C.CN(C)c1ccc(C#CC(C)(C)C)cc1.CN(C1CC1)C(C)(C)C.Cc1cc(O)cc(O)c1C#CC(C)(C)C.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C15H15N.C14H19N.C13H13N.C13H16O2.C12H13N3.2C11H13N.C9H14N2O.C9H19P.C9H18.C8H14N2.C8H17NO.2C8H17N.C8H13N.C8H19N.C8H16O.C8H12O.C7H12N2.C7H17NO2.C7H11NS.C7H15N.C7H17N.C5H10N4/c1-15(2,3)10-9-13-7-4-6-12-8-5-11-16-14(12)13;1-14(2,3)11-10-12-6-8-13(9-7-12)15(4)5;1-13(2,3)9-8-11-4-6-12(10-14)7-5-11;1-9-7-10(14)8-12(15)11(9)5-6-13(2,3)4;1-12(2,3)7-6-10-9-13-11-5-4-8-14-15(10)11;1-11(2,3)7-4-10-5-8-12-9-6-10;1-11(2,3)8-7-10-6-4-5-9-12-10;1-7(12)11-6-8(5-10-11)9(2,3)4;1-9(2,3)10(4)7-5-6-8-10;1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9(4)7-5-6-7;2*1-8(2,3)9-6-4-5-7-9;1-7(2)9(6)8(3,4)5;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)8-4-6(10)5-9;1-7(2,3)6-4-9-5-8-6;1-7(2,3)8-6-4-5-6;1-6(2)8-7(3,4)5;1-5(2,3)4-6-8-9-7-4/h4-8,11H,1-3H3;6-9H,1-5H3;4-7H,1-3H3;7-8,14-15H,1-4H3;4-5,8-9H,1-3H3;5-6,8-9H,1-3H3;4-6,9H,1-3H3;5-6H,1-4H3;4-8H2,1-3H3;8H,4-7H2,1-3H3;5-6H,1-4H3;4-7H2,1-3H3;7H,5-6H2,1-4H3;4-7H2,1-3H3;4-7H,1-3H3;7H,1-6H3;7H,4-6H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);6,8-10H,4-5H2,1-3H3;4-5H,1-3H3;6,8H,4-5H2,1-3H3;6,8H,1-5H3;4H,1-3H3
InChIKeySYVOBFYSBQUVDB-UHFFFAOYSA-N
MW3574.52 g/mol
LogP52.72
Rot. Bonds8

About 3-(tert-butylamino)propane-1,2-diol;tert-butylcyclopentane;N-tert-butylcyclopropanamine;2-tert-butylfuran;N-tert-butyl-N-methylcyclopropanamine;1-tert-butyl-1-methylidene-1λ5-phospholane;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;3-tert-butyloxolane;4-tert-butyl-1H-pyrazole;1-(4-tert-butylpyrazol-1-yl)ethanone;1-tert-butylpyrrole;1-tert-butylpyrrolidine;5-tert-butyl-5H-tetrazole;4-tert-butyl-1,3-thiazole;4-(3,3-dimethylbut-1-ynyl)benzonitrile;4-(3,3-dimethylbut-1-ynyl)-N,N-dimethylaniline;3-(3,3-dimethylbut-1-ynyl)imidazo[1,2-b]pyridazine;4-(3,3-dimethylbut-1-ynyl)-5-methylbenzene-1,3-diol;2-(3,3-dimethylbut-1-ynyl)pyridine;4-(3,3-dimethylbut-1-ynyl)pyridine;8-(3,3-dimethylbut-1-ynyl)quinoline;N,2-dimethyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine

3-(tert-butylamino)propane-1,2-diol;tert-butylcyclopentane;N-tert-butylcyclopropanamine;2-tert-butylfuran;N-tert-butyl-N-methylcyclopropanamine;1-tert-butyl-1-methylidene-1λ5-phospholane;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;3-tert-butyloxolane;4-tert-butyl-1H-pyrazole;1-(4-tert-butylpyrazol-1-yl)ethanone;1-tert-butylpyrrole;1-tert-butylpyrrolidine;5-tert-butyl-5H-tetrazole;4-tert-butyl-1,3-thiazole;4-(3,3-dimethylbut-1-ynyl)benzonitrile;4-(3,3-dimethylbut-1-ynyl)-N,N-dimethylaniline;3-(3,3-dimethylbut-1-ynyl)imidazo[1,2-b]pyridazine;4-(3,3-dimethylbut-1-ynyl)-5-methylbenzene-1,3-diol;2-(3,3-dimethylbut-1-ynyl)pyridine;4-(3,3-dimethylbut-1-ynyl)pyridine;8-(3,3-dimethylbut-1-ynyl)quinoline;N,2-dimethyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine (PubChem CID 165072279) has the molecular formula C220H360N27O8PS and a molecular weight of 3574.52 g/mol. Its IUPAC name is 3-(tert-butylamino)propane-1,2-diol;tert-butylcyclopentane;N-tert-butylcyclopropanamine;2-tert-butylfuran;N-tert-butyl-N-methylcyclopropanamine;1-tert-butyl-1-methylidene-1λ5-phospholane;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;3-tert-butyloxolane;4-tert-butyl-1H-pyrazole;1-(4-tert-butylpyrazol-1-yl)ethanone;1-tert-butylpyrrole;1-tert-butylpyrrolidine;5-tert-butyl-5H-tetrazole;4-tert-butyl-1,3-thiazole;4-(3,3-dimethylbut-1-ynyl)benzonitrile;4-(3,3-dimethylbut-1-ynyl)-N,N-dimethylaniline;3-(3,3-dimethylbut-1-ynyl)imidazo[1,2-b]pyridazine;4-(3,3-dimethylbut-1-ynyl)-5-methylbenzene-1,3-diol;2-(3,3-dimethylbut-1-ynyl)pyridine;4-(3,3-dimethylbut-1-ynyl)pyridine;8-(3,3-dimethylbut-1-ynyl)quinoline;N,2-dimethyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name3-(tert-butylamino)propane-1,2-diol;tert-butylcyclopentane;N-tert-butylcyclopropanamine;2-tert-butylfuran;N-tert-butyl-N-methylcyclopropanamine;1-tert-butyl-1-methylidene-1λ5-phospholane;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;3-tert-butyloxolane;4-tert-butyl-1H-pyrazole;1-(4-tert-butylpyrazol-1-yl)ethanone;1-tert-butylpyrrole;1-tert-butylpyrrolidine;5-tert-butyl-5H-tetrazole;4-tert-butyl-1,3-thiazole;4-(3,3-dimethylbut-1-ynyl)benzonitrile;4-(3,3-dimethylbut-1-ynyl)-N,N-dimethylaniline;3-(3,3-dimethylbut-1-ynyl)imidazo[1,2-b]pyridazine;4-(3,3-dimethylbut-1-ynyl)-5-methylbenzene-1,3-diol;2-(3,3-dimethylbut-1-ynyl)pyridine;4-(3,3-dimethylbut-1-ynyl)pyridine;8-(3,3-dimethylbut-1-ynyl)quinoline;N,2-dimethyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine
PubChem CID165072279
Molecular FormulaC220H360N27O8PS
Molecular Weight3574.52 g/mol
Exact Mass3571.81
IUPAC Name3-(tert-butylamino)propane-1,2-diol;tert-butylcyclopentane;N-tert-butylcyclopropanamine;2-tert-butylfuran;N-tert-butyl-N-methylcyclopropanamine;1-tert-butyl-1-methylidene-1λ5-phospholane;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;3-tert-butyloxolane;4-tert-butyl-1H-pyrazole;1-(4-tert-butylpyrazol-1-yl)ethanone;1-tert-butylpyrrole;1-tert-butylpyrrolidine;5-tert-butyl-5H-tetrazole;4-tert-butyl-1,3-thiazole;4-(3,3-dimethylbut-1-ynyl)benzonitrile;4-(3,3-dimethylbut-1-ynyl)-N,N-dimethylaniline;3-(3,3-dimethylbut-1-ynyl)imidazo[1,2-b]pyridazine;4-(3,3-dimethylbut-1-ynyl)-5-methylbenzene-1,3-diol;2-(3,3-dimethylbut-1-ynyl)pyridine;4-(3,3-dimethylbut-1-ynyl)pyridine;8-(3,3-dimethylbut-1-ynyl)quinoline;N,2-dimethyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine
SMILESC=P1(C(C)(C)C)CCCC1.CC(=O)n1cc(C(C)(C)C)cn1.CC(C)(C)C#Cc1ccc(C#N)cc1.CC(C)(C)C#Cc1cccc2cccnc12.CC(C)(C)C#Cc1ccccn1.CC(C)(C)C#Cc1ccncc1.CC(C)(C)C#Cc1cnc2cccnn12.CC(C)(C)C1CCCC1.CC(C)(C)C1CCOC1.CC(C)(C)C1N=NN=N1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)NC1CC1.CC(C)(C)NCC(O)CO.CC(C)(C)c1ccco1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cscn1.CC(C)(C)n1cccc1.CC(C)N(C)C(C)(C)C.CC(C)NC(C)(C)C.CN(C)c1ccc(C#CC(C)(C)C)cc1.CN(C1CC1)C(C)(C)C.Cc1cc(O)cc(O)c1C#CC(C)(C)C.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C15H15N.C14H19N.C13H13N.C13H16O2.C12H13N3.2C11H13N.C9H14N2O.C9H19P.C9H18.C8H14N2.C8H17NO.2C8H17N.C8H13N.C8H19N.C8H16O.C8H12O.C7H12N2.C7H17NO2.C7H11NS.C7H15N.C7H17N.C5H10N4/c1-15(2,3)10-9-13-7-4-6-12-8-5-11-16-14(12)13;1-14(2,3)11-10-12-6-8-13(9-7-12)15(4)5;1-13(2,3)9-8-11-4-6-12(10-14)7-5-11;1-9-7-10(14)8-12(15)11(9)5-6-13(2,3)4;1-12(2,3)7-6-10-9-13-11-5-4-8-14-15(10)11;1-11(2,3)7-4-10-5-8-12-9-6-10;1-11(2,3)8-7-10-6-4-5-9-12-10;1-7(12)11-6-8(5-10-11)9(2,3)4;1-9(2,3)10(4)7-5-6-8-10;1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9(4)7-5-6-7;2*1-8(2,3)9-6-4-5-7-9;1-7(2)9(6)8(3,4)5;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)8-4-6(10)5-9;1-7(2,3)6-4-9-5-8-6;1-7(2,3)8-6-4-5-6;1-6(2)8-7(3,4)5;1-5(2,3)4-6-8-9-7-4/h4-8,11H,1-3H3;6-9H,1-5H3;4-7H,1-3H3;7-8,14-15H,1-4H3;4-5,8-9H,1-3H3;5-6,8-9H,1-3H3;4-6,9H,1-3H3;5-6H,1-4H3;4-8H2,1-3H3;8H,4-7H2,1-3H3;5-6H,1-4H3;4-7H2,1-3H3;7H,5-6H2,1-4H3;4-7H2,1-3H3;4-7H,1-3H3;7H,1-6H3;7H,4-6H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);6,8-10H,4-5H2,1-3H3;4-5H,1-3H3;6,8H,4-5H2,1-3H3;6,8H,1-5H3;4H,1-3H3
InChIKeySYVOBFYSBQUVDB-UHFFFAOYSA-N
XLogP52.72
TPSA406.11 Ų
H-Bond Donors8
H-Bond Acceptors35
Rotatable Bonds8
Heavy Atoms257
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003574.52
LogP ≤ 552.72
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 3-(tert-butylamino)propane-1,2-diol;tert-butylcyclopentane;N-tert-butylcyclopropanamine;2-tert-butylfuran;N-tert-butyl-N-methylcyclopropanamine;1-tert-butyl-1-methylidene-1λ5-phospholane;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;3-tert-butyloxolane;4-tert-butyl-1H-pyrazole;1-(4-tert-butylpyrazol-1-yl)ethanone;1-tert-butylpyrrole;1-tert-butylpyrrolidine;5-tert-butyl-5H-tetrazole;4-tert-butyl-1,3-thiazole;4-(3,3-dimethylbut-1-ynyl)benzonitrile;4-(3,3-dimethylbut-1-ynyl)-N,N-dimethylaniline;3-(3,3-dimethylbut-1-ynyl)imidazo[1,2-b]pyridazine;4-(3,3-dimethylbut-1-ynyl)-5-methylbenzene-1,3-diol;2-(3,3-dimethylbut-1-ynyl)pyridine;4-(3,3-dimethylbut-1-ynyl)pyridine;8-(3,3-dimethylbut-1-ynyl)quinoline;N,2-dimethyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)propane-1,2-diol;tert-butylcyclopentane;N-tert-butylcyclopropanamine;2-tert-butylfuran;N-tert-butyl-N-methylcyclopropanamine;1-tert-butyl-1-methylidene-1λ5-phospholane;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;3-tert-butyloxolane;4-tert-butyl-1H-pyrazole;1-(4-tert-butylpyrazol-1-yl)ethanone;1-tert-butylpyrrole;1-tert-butylpyrrolidine;5-tert-butyl-5H-tetrazole;4-tert-butyl-1,3-thiazole;4-(3,3-dimethylbut-1-ynyl)benzonitrile;4-(3,3-dimethylbut-1-ynyl)-N,N-dimethylaniline;3-(3,3-dimethylbut-1-ynyl)imidazo[1,2-b]pyridazine;4-(3,3-dimethylbut-1-ynyl)-5-methylbenzene-1,3-diol;2-(3,3-dimethylbut-1-ynyl)pyridine;4-(3,3-dimethylbut-1-ynyl)pyridine;8-(3,3-dimethylbut-1-ynyl)quinoline;N,2-dimethyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine?
The IUPAC name of 3-(tert-butylamino)propane-1,2-diol;tert-butylcyclopentane;N-tert-butylcyclopropanamine;2-tert-butylfuran;N-tert-butyl-N-methylcyclopropanamine;1-tert-butyl-1-methylidene-1λ5-phospholane;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;3-tert-butyloxolane;4-tert-butyl-1H-pyrazole;1-(4-tert-butylpyrazol-1-yl)ethanone;1-tert-butylpyrrole;1-tert-butylpyrrolidine;5-tert-butyl-5H-tetrazole;4-tert-butyl-1,3-thiazole;4-(3,3-dimethylbut-1-ynyl)benzonitrile;4-(3,3-dimethylbut-1-ynyl)-N,N-dimethylaniline;3-(3,3-dimethylbut-1-ynyl)imidazo[1,2-b]pyridazine;4-(3,3-dimethylbut-1-ynyl)-5-methylbenzene-1,3-diol;2-(3,3-dimethylbut-1-ynyl)pyridine;4-(3,3-dimethylbut-1-ynyl)pyridine;8-(3,3-dimethylbut-1-ynyl)quinoline;N,2-dimethyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine (CID 165072279) is 3-(tert-butylamino)propane-1,2-diol;tert-butylcyclopentane;N-tert-butylcyclopropanamine;2-tert-butylfuran;N-tert-butyl-N-methylcyclopropanamine;1-tert-butyl-1-methylidene-1λ5-phospholane;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;3-tert-butyloxolane;4-tert-butyl-1H-pyrazole;1-(4-tert-butylpyrazol-1-yl)ethanone;1-tert-butylpyrrole;1-tert-butylpyrrolidine;5-tert-butyl-5H-tetrazole;4-tert-butyl-1,3-thiazole;4-(3,3-dimethylbut-1-ynyl)benzonitrile;4-(3,3-dimethylbut-1-ynyl)-N,N-dimethylaniline;3-(3,3-dimethylbut-1-ynyl)imidazo[1,2-b]pyridazine;4-(3,3-dimethylbut-1-ynyl)-5-methylbenzene-1,3-diol;2-(3,3-dimethylbut-1-ynyl)pyridine;4-(3,3-dimethylbut-1-ynyl)pyridine;8-(3,3-dimethylbut-1-ynyl)quinoline;N,2-dimethyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 3-(tert-butylamino)propane-1,2-diol;tert-butylcyclopentane;N-tert-butylcyclopropanamine;2-tert-butylfuran;N-tert-butyl-N-methylcyclopropanamine;1-tert-butyl-1-methylidene-1λ5-phospholane;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;3-tert-butyloxolane;4-tert-butyl-1H-pyrazole;1-(4-tert-butylpyrazol-1-yl)ethanone;1-tert-butylpyrrole;1-tert-butylpyrrolidine;5-tert-butyl-5H-tetrazole;4-tert-butyl-1,3-thiazole;4-(3,3-dimethylbut-1-ynyl)benzonitrile;4-(3,3-dimethylbut-1-ynyl)-N,N-dimethylaniline;3-(3,3-dimethylbut-1-ynyl)imidazo[1,2-b]pyridazine;4-(3,3-dimethylbut-1-ynyl)-5-methylbenzene-1,3-diol;2-(3,3-dimethylbut-1-ynyl)pyridine;4-(3,3-dimethylbut-1-ynyl)pyridine;8-(3,3-dimethylbut-1-ynyl)quinoline;N,2-dimethyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine?
The canonical SMILES for 3-(tert-butylamino)propane-1,2-diol;tert-butylcyclopentane;N-tert-butylcyclopropanamine;2-tert-butylfuran;N-tert-butyl-N-methylcyclopropanamine;1-tert-butyl-1-methylidene-1λ5-phospholane;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;3-tert-butyloxolane;4-tert-butyl-1H-pyrazole;1-(4-tert-butylpyrazol-1-yl)ethanone;1-tert-butylpyrrole;1-tert-butylpyrrolidine;5-tert-butyl-5H-tetrazole;4-tert-butyl-1,3-thiazole;4-(3,3-dimethylbut-1-ynyl)benzonitrile;4-(3,3-dimethylbut-1-ynyl)-N,N-dimethylaniline;3-(3,3-dimethylbut-1-ynyl)imidazo[1,2-b]pyridazine;4-(3,3-dimethylbut-1-ynyl)-5-methylbenzene-1,3-diol;2-(3,3-dimethylbut-1-ynyl)pyridine;4-(3,3-dimethylbut-1-ynyl)pyridine;8-(3,3-dimethylbut-1-ynyl)quinoline;N,2-dimethyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine is C=P1(C(C)(C)C)CCCC1.CC(=O)n1cc(C(C)(C)C)cn1.CC(C)(C)C#Cc1ccc(C#N)cc1.CC(C)(C)C#Cc1cccc2cccnc12.CC(C)(C)C#Cc1ccccn1.CC(C)(C)C#Cc1ccncc1.CC(C)(C)C#Cc1cnc2cccnn12.CC(C)(C)C1CCCC1.CC(C)(C)C1CCOC1.CC(C)(C)C1N=NN=N1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)NC1CC1.CC(C)(C)NCC(O)CO.CC(C)(C)c1ccco1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cscn1.CC(C)(C)n1cccc1.CC(C)N(C)C(C)(C)C.CC(C)NC(C)(C)C.CN(C)c1ccc(C#CC(C)(C)C)cc1.CN(C1CC1)C(C)(C)C.Cc1cc(O)cc(O)c1C#CC(C)(C)C.Cn1cc(C(C)(C)C)cn1.
What is the InChIKey of 3-(tert-butylamino)propane-1,2-diol;tert-butylcyclopentane;N-tert-butylcyclopropanamine;2-tert-butylfuran;N-tert-butyl-N-methylcyclopropanamine;1-tert-butyl-1-methylidene-1λ5-phospholane;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;3-tert-butyloxolane;4-tert-butyl-1H-pyrazole;1-(4-tert-butylpyrazol-1-yl)ethanone;1-tert-butylpyrrole;1-tert-butylpyrrolidine;5-tert-butyl-5H-tetrazole;4-tert-butyl-1,3-thiazole;4-(3,3-dimethylbut-1-ynyl)benzonitrile;4-(3,3-dimethylbut-1-ynyl)-N,N-dimethylaniline;3-(3,3-dimethylbut-1-ynyl)imidazo[1,2-b]pyridazine;4-(3,3-dimethylbut-1-ynyl)-5-methylbenzene-1,3-diol;2-(3,3-dimethylbut-1-ynyl)pyridine;4-(3,3-dimethylbut-1-ynyl)pyridine;8-(3,3-dimethylbut-1-ynyl)quinoline;N,2-dimethyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine?
The InChIKey is SYVOBFYSBQUVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N.C14H19N.C13H13N.C13H16O2.C12H13N3.2C11H13N.C9H14N2O.C9H19P.C9H18.C8H14N2.C8H17NO.2C8H17N.C8H13N.C8H19N.C8H16O.C8H12O.C7H12N2.C7H17NO2.C7H11NS.C7H15N.C7H17N.C5H10N4/c1-15(2,3)10-9-13-7-4-6-12-8-5-11-16-14(12)13;1-14(2,3)11-10-12-6-8-13(9-7-12)15(4)5;1-13(2,3)9-8-11-4-6-12(10-14)7-5-11;1-9-7-10(14)8-12(15)11(9)5-6-13(2,3)4;1-12(2,3)7-6-10-9-13-11-5-4-8-14-15(10)11;1-11(2,3)7-4-10-5-8-12-9-6-10;1-11(2,3)8-7-10-6-4-5-9-12-10;1-7(12)11-6-8(5-10-11)9(2,3)4;1-9(2,3)10(4)7-5-6-8-10;1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9(4)7-5-6-7;2*1-8(2,3)9-6-4-5-7-9;1-7(2)9(6)8(3,4)5;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)8-4-6(10)5-9;1-7(2,3)6-4-9-5-8-6;1-7(2,3)8-6-4-5-6;1-6(2)8-7(3,4)5;1-5(2,3)4-6-8-9-7-4/h4-8,11H,1-3H3;6-9H,1-5H3;4-7H,1-3H3;7-8,14-15H,1-4H3;4-5,8-9H,1-3H3;5-6,8-9H,1-3H3;4-6,9H,1-3H3;5-6H,1-4H3;4-8H2,1-3H3;8H,4-7H2,1-3H3;5-6H,1-4H3;4-7H2,1-3H3;7H,5-6H2,1-4H3;4-7H2,1-3H3;4-7H,1-3H3;7H,1-6H3;7H,4-6H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);6,8-10H,4-5H2,1-3H3;4-5H,1-3H3;6,8H,4-5H2,1-3H3;6,8H,1-5H3;4H,1-3H3.
What are the key properties of 3-(tert-butylamino)propane-1,2-diol;tert-butylcyclopentane;N-tert-butylcyclopropanamine;2-tert-butylfuran;N-tert-butyl-N-methylcyclopropanamine;1-tert-butyl-1-methylidene-1λ5-phospholane;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;3-tert-butyloxolane;4-tert-butyl-1H-pyrazole;1-(4-tert-butylpyrazol-1-yl)ethanone;1-tert-butylpyrrole;1-tert-butylpyrrolidine;5-tert-butyl-5H-tetrazole;4-tert-butyl-1,3-thiazole;4-(3,3-dimethylbut-1-ynyl)benzonitrile;4-(3,3-dimethylbut-1-ynyl)-N,N-dimethylaniline;3-(3,3-dimethylbut-1-ynyl)imidazo[1,2-b]pyridazine;4-(3,3-dimethylbut-1-ynyl)-5-methylbenzene-1,3-diol;2-(3,3-dimethylbut-1-ynyl)pyridine;4-(3,3-dimethylbut-1-ynyl)pyridine;8-(3,3-dimethylbut-1-ynyl)quinoline;N,2-dimethyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine?
3-(tert-butylamino)propane-1,2-diol;tert-butylcyclopentane;N-tert-butylcyclopropanamine;2-tert-butylfuran;N-tert-butyl-N-methylcyclopropanamine;1-tert-butyl-1-methylidene-1λ5-phospholane;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;3-tert-butyloxolane;4-tert-butyl-1H-pyrazole;1-(4-tert-butylpyrazol-1-yl)ethanone;1-tert-butylpyrrole;1-tert-butylpyrrolidine;5-tert-butyl-5H-tetrazole;4-tert-butyl-1,3-thiazole;4-(3,3-dimethylbut-1-ynyl)benzonitrile;4-(3,3-dimethylbut-1-ynyl)-N,N-dimethylaniline;3-(3,3-dimethylbut-1-ynyl)imidazo[1,2-b]pyridazine;4-(3,3-dimethylbut-1-ynyl)-5-methylbenzene-1,3-diol;2-(3,3-dimethylbut-1-ynyl)pyridine;4-(3,3-dimethylbut-1-ynyl)pyridine;8-(3,3-dimethylbut-1-ynyl)quinoline;N,2-dimethyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine has a molecular weight of 3574.52 g/mol, XLogP of 52.72, 8 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)propane-1,2-diol;tert-butylcyclopentane;N-tert-butylcyclopropanamine;2-tert-butylfuran;N-tert-butyl-N-methylcyclopropanamine;1-tert-butyl-1-methylidene-1λ5-phospholane;4-tert-butyl-1-methylpyrazole;4-tert-butylmorpholine;3-tert-butyloxolane;4-tert-butyl-1H-pyrazole;1-(4-tert-butylpyrazol-1-yl)ethanone;1-tert-butylpyrrole;1-tert-butylpyrrolidine;5-tert-butyl-5H-tetrazole;4-tert-butyl-1,3-thiazole;4-(3,3-dimethylbut-1-ynyl)benzonitrile;4-(3,3-dimethylbut-1-ynyl)-N,N-dimethylaniline;3-(3,3-dimethylbut-1-ynyl)imidazo[1,2-b]pyridazine;4-(3,3-dimethylbut-1-ynyl)-5-methylbenzene-1,3-diol;2-(3,3-dimethylbut-1-ynyl)pyridine;4-(3,3-dimethylbut-1-ynyl)pyridine;8-(3,3-dimethylbut-1-ynyl)quinoline;N,2-dimethyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 165072279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).