2,3-dimethylbutane;2-methylpropane;2-methylsulfanylpropane;propane;propan-2-ol;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-4H-imidazole;2-(1-propan-2-ylimidazol-4-yl)ethanamine;2-(4-propan-2-ylimidazol-1-yl)ethanamine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-3H-pyrrole;1-propan-2-yltetrazole;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,3-thiazol-2-amine;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole

C108H204N38OS3 — CID 159832575

IUPAC2,3-dimethylbutane;2-methylpropane;2-methylsulfanylpropane;propane;propan-2-ol;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-4H-imidazole;2-(1-propan-2-ylimidazol-4-yl)ethanamine;2-(4-propan-2-ylimidazol-1-yl)ethanamine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-3H-pyrrole;1-propan-2-yltetrazole;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,3-thiazol-2-amine;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)C.CC(C)C(C)C.CC(C)C1=CN=CC1.CC(C)C1=NC=NC1.CC(C)O.CC(C)c1ccn[nH]1.CC(C)c1cn(CCN)cn1.CC(C)c1cn[nH]c1.CC(C)c1cn[nH]n1.CC(C)c1cnc(N)s1.CC(C)c1cnc[nH]1.CC(C)c1csc(N)n1.CC(C)c1ncn[nH]1.CC(C)c1nn[nH]n1.CC(C)n1ccnc1.CC(C)n1cnc(CCN)c1.CC(C)n1cncn1.CC(C)n1cnnn1.CCC.CSC(C)C
InChIInChI=1S/2C8H15N3.C7H11N.2C6H10N2S.5C6H10N2.C6H14.3C5H9N3.2C4H8N4.C4H10S.C4H10.C3H8O.C3H8/c1-7(2)8-5-11(4-3-9)6-10-8;1-7(2)11-5-8(3-4-9)10-6-11;1-6(2)7-3-4-8-5-7;1-4(2)5-3-9-6(7)8-5;1-4(2)5-3-8-6(7)9-5;2*1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-6(2)8-4-3-7-5-8;1-5(2)6-3-4-7-8-6;1-5(2)6(3)4;1-5(2)8-4-6-3-7-8;1-4(2)5-6-3-7-8-5;1-4(2)5-3-6-8-7-5;1-4(2)8-3-5-6-7-8;1-3(2)4-5-7-8-6-4;1-4(2)5-3;1-4(2)3;1-3(2)4;1-3-2/h2*5-7H,3-4,9H2,1-2H3;4-6H,3H2,1-2H3;2*3-4H,1-2H3,(H2,7,8);4-5H,3H2,1-2H3;2*3-5H,1-2H3,(H,7,8);3-6H,1-2H3;3-5H,1-2H3,(H,7,8);5-6H,1-4H3;3-5H,1-2H3;2*3-4H,1-2H3,(H,6,7,8);3-4H,1-2H3;3H,1-2H3,(H,5,6,7,8);4H,1-3H3;4H,1-3H3;3-4H,1-2H3;3H2,1-2H3
InChIKeyNNQMXIUUQATLOM-UHFFFAOYSA-N
MW2147.29 g/mol
LogP25.63
Rot. Bonds21

About 2,3-dimethylbutane;2-methylpropane;2-methylsulfanylpropane;propane;propan-2-ol;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-4H-imidazole;2-(1-propan-2-ylimidazol-4-yl)ethanamine;2-(4-propan-2-ylimidazol-1-yl)ethanamine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-3H-pyrrole;1-propan-2-yltetrazole;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,3-thiazol-2-amine;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole

2,3-dimethylbutane;2-methylpropane;2-methylsulfanylpropane;propane;propan-2-ol;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-4H-imidazole;2-(1-propan-2-ylimidazol-4-yl)ethanamine;2-(4-propan-2-ylimidazol-1-yl)ethanamine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-3H-pyrrole;1-propan-2-yltetrazole;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,3-thiazol-2-amine;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole (PubChem CID 159832575) has the molecular formula C108H204N38OS3 and a molecular weight of 2147.29 g/mol. Its IUPAC name is 2,3-dimethylbutane;2-methylpropane;2-methylsulfanylpropane;propane;propan-2-ol;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-4H-imidazole;2-(1-propan-2-ylimidazol-4-yl)ethanamine;2-(4-propan-2-ylimidazol-1-yl)ethanamine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-3H-pyrrole;1-propan-2-yltetrazole;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,3-thiazol-2-amine;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name2,3-dimethylbutane;2-methylpropane;2-methylsulfanylpropane;propane;propan-2-ol;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-4H-imidazole;2-(1-propan-2-ylimidazol-4-yl)ethanamine;2-(4-propan-2-ylimidazol-1-yl)ethanamine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-3H-pyrrole;1-propan-2-yltetrazole;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,3-thiazol-2-amine;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
PubChem CID159832575
Molecular FormulaC108H204N38OS3
Molecular Weight2147.29 g/mol
Exact Mass2145.62
IUPAC Name2,3-dimethylbutane;2-methylpropane;2-methylsulfanylpropane;propane;propan-2-ol;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-4H-imidazole;2-(1-propan-2-ylimidazol-4-yl)ethanamine;2-(4-propan-2-ylimidazol-1-yl)ethanamine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-3H-pyrrole;1-propan-2-yltetrazole;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,3-thiazol-2-amine;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)C.CC(C)C(C)C.CC(C)C1=CN=CC1.CC(C)C1=NC=NC1.CC(C)O.CC(C)c1ccn[nH]1.CC(C)c1cn(CCN)cn1.CC(C)c1cn[nH]c1.CC(C)c1cn[nH]n1.CC(C)c1cnc(N)s1.CC(C)c1cnc[nH]1.CC(C)c1csc(N)n1.CC(C)c1ncn[nH]1.CC(C)c1nn[nH]n1.CC(C)n1ccnc1.CC(C)n1cnc(CCN)c1.CC(C)n1cncn1.CC(C)n1cnnn1.CCC.CSC(C)C
InChIInChI=1S/2C8H15N3.C7H11N.2C6H10N2S.5C6H10N2.C6H14.3C5H9N3.2C4H8N4.C4H10S.C4H10.C3H8O.C3H8/c1-7(2)8-5-11(4-3-9)6-10-8;1-7(2)11-5-8(3-4-9)10-6-11;1-6(2)7-3-4-8-5-7;1-4(2)5-3-9-6(7)8-5;1-4(2)5-3-8-6(7)9-5;2*1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-6(2)8-4-3-7-5-8;1-5(2)6-3-4-7-8-6;1-5(2)6(3)4;1-5(2)8-4-6-3-7-8;1-4(2)5-6-3-7-8-5;1-4(2)5-3-6-8-7-5;1-4(2)8-3-5-6-7-8;1-3(2)4-5-7-8-6-4;1-4(2)5-3;1-4(2)3;1-3(2)4;1-3-2/h2*5-7H,3-4,9H2,1-2H3;4-6H,3H2,1-2H3;2*3-4H,1-2H3,(H2,7,8);4-5H,3H2,1-2H3;2*3-5H,1-2H3,(H,7,8);3-6H,1-2H3;3-5H,1-2H3,(H,7,8);5-6H,1-4H3;3-5H,1-2H3;2*3-4H,1-2H3,(H,6,7,8);3-4H,1-2H3;3H,1-2H3,(H,5,6,7,8);4H,1-3H3;4H,1-3H3;3-4H,1-2H3;3H2,1-2H3
InChIKeyNNQMXIUUQATLOM-UHFFFAOYSA-N
XLogP25.63
TPSA538.58 Ų
H-Bond Donors11
H-Bond Acceptors36
Rotatable Bonds21
Heavy Atoms150
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002147.29
LogP ≤ 525.63
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1036

Analyze 2,3-dimethylbutane;2-methylpropane;2-methylsulfanylpropane;propane;propan-2-ol;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-4H-imidazole;2-(1-propan-2-ylimidazol-4-yl)ethanamine;2-(4-propan-2-ylimidazol-1-yl)ethanamine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-3H-pyrrole;1-propan-2-yltetrazole;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,3-thiazol-2-amine;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane;2-methylpropane;2-methylsulfanylpropane;propane;propan-2-ol;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-4H-imidazole;2-(1-propan-2-ylimidazol-4-yl)ethanamine;2-(4-propan-2-ylimidazol-1-yl)ethanamine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-3H-pyrrole;1-propan-2-yltetrazole;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,3-thiazol-2-amine;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole?
The IUPAC name of 2,3-dimethylbutane;2-methylpropane;2-methylsulfanylpropane;propane;propan-2-ol;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-4H-imidazole;2-(1-propan-2-ylimidazol-4-yl)ethanamine;2-(4-propan-2-ylimidazol-1-yl)ethanamine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-3H-pyrrole;1-propan-2-yltetrazole;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,3-thiazol-2-amine;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole (CID 159832575) is 2,3-dimethylbutane;2-methylpropane;2-methylsulfanylpropane;propane;propan-2-ol;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-4H-imidazole;2-(1-propan-2-ylimidazol-4-yl)ethanamine;2-(4-propan-2-ylimidazol-1-yl)ethanamine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-3H-pyrrole;1-propan-2-yltetrazole;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,3-thiazol-2-amine;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 2,3-dimethylbutane;2-methylpropane;2-methylsulfanylpropane;propane;propan-2-ol;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-4H-imidazole;2-(1-propan-2-ylimidazol-4-yl)ethanamine;2-(4-propan-2-ylimidazol-1-yl)ethanamine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-3H-pyrrole;1-propan-2-yltetrazole;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,3-thiazol-2-amine;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 2,3-dimethylbutane;2-methylpropane;2-methylsulfanylpropane;propane;propan-2-ol;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-4H-imidazole;2-(1-propan-2-ylimidazol-4-yl)ethanamine;2-(4-propan-2-ylimidazol-1-yl)ethanamine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-3H-pyrrole;1-propan-2-yltetrazole;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,3-thiazol-2-amine;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole is CC(C)C.CC(C)C(C)C.CC(C)C1=CN=CC1.CC(C)C1=NC=NC1.CC(C)O.CC(C)c1ccn[nH]1.CC(C)c1cn(CCN)cn1.CC(C)c1cn[nH]c1.CC(C)c1cn[nH]n1.CC(C)c1cnc(N)s1.CC(C)c1cnc[nH]1.CC(C)c1csc(N)n1.CC(C)c1ncn[nH]1.CC(C)c1nn[nH]n1.CC(C)n1ccnc1.CC(C)n1cnc(CCN)c1.CC(C)n1cncn1.CC(C)n1cnnn1.CCC.CSC(C)C.
What is the InChIKey of 2,3-dimethylbutane;2-methylpropane;2-methylsulfanylpropane;propane;propan-2-ol;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-4H-imidazole;2-(1-propan-2-ylimidazol-4-yl)ethanamine;2-(4-propan-2-ylimidazol-1-yl)ethanamine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-3H-pyrrole;1-propan-2-yltetrazole;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,3-thiazol-2-amine;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole?
The InChIKey is NNQMXIUUQATLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H15N3.C7H11N.2C6H10N2S.5C6H10N2.C6H14.3C5H9N3.2C4H8N4.C4H10S.C4H10.C3H8O.C3H8/c1-7(2)8-5-11(4-3-9)6-10-8;1-7(2)11-5-8(3-4-9)10-6-11;1-6(2)7-3-4-8-5-7;1-4(2)5-3-9-6(7)8-5;1-4(2)5-3-8-6(7)9-5;2*1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-6(2)8-4-3-7-5-8;1-5(2)6-3-4-7-8-6;1-5(2)6(3)4;1-5(2)8-4-6-3-7-8;1-4(2)5-6-3-7-8-5;1-4(2)5-3-6-8-7-5;1-4(2)8-3-5-6-7-8;1-3(2)4-5-7-8-6-4;1-4(2)5-3;1-4(2)3;1-3(2)4;1-3-2/h2*5-7H,3-4,9H2,1-2H3;4-6H,3H2,1-2H3;2*3-4H,1-2H3,(H2,7,8);4-5H,3H2,1-2H3;2*3-5H,1-2H3,(H,7,8);3-6H,1-2H3;3-5H,1-2H3,(H,7,8);5-6H,1-4H3;3-5H,1-2H3;2*3-4H,1-2H3,(H,6,7,8);3-4H,1-2H3;3H,1-2H3,(H,5,6,7,8);4H,1-3H3;4H,1-3H3;3-4H,1-2H3;3H2,1-2H3.
What are the key properties of 2,3-dimethylbutane;2-methylpropane;2-methylsulfanylpropane;propane;propan-2-ol;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-4H-imidazole;2-(1-propan-2-ylimidazol-4-yl)ethanamine;2-(4-propan-2-ylimidazol-1-yl)ethanamine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-3H-pyrrole;1-propan-2-yltetrazole;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,3-thiazol-2-amine;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole?
2,3-dimethylbutane;2-methylpropane;2-methylsulfanylpropane;propane;propan-2-ol;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-4H-imidazole;2-(1-propan-2-ylimidazol-4-yl)ethanamine;2-(4-propan-2-ylimidazol-1-yl)ethanamine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-3H-pyrrole;1-propan-2-yltetrazole;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,3-thiazol-2-amine;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 2147.29 g/mol, XLogP of 25.63, 21 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane;2-methylpropane;2-methylsulfanylpropane;propane;propan-2-ol;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-4H-imidazole;2-(1-propan-2-ylimidazol-4-yl)ethanamine;2-(4-propan-2-ylimidazol-1-yl)ethanamine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-3H-pyrrole;1-propan-2-yltetrazole;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,3-thiazol-2-amine;5-propan-2-yl-1,3-thiazol-2-amine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 159832575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).