1-tert-butylbenzimidazole;4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-N,N-dimethylpyrimidin-5-amine;2-tert-butyl-1,3-dioxolane;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;1-tert-butylpyridin-2-one;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,2,4-triazole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine

C260H414FN43O5 — CID 158842215

IUPAC1-tert-butylbenzimidazole;4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-N,N-dimethylpyrimidin-5-amine;2-tert-butyl-1,3-dioxolane;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;1-tert-butylpyridin-2-one;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,2,4-triazole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine
SMILESCC(C)(C)C1CCN(C2CC2)CC1.CC(C)(C)C1OCCO1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccnnc1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncco1.CC(C)(C)n1ccc2cccnc21.CC(C)(C)n1cccc1.CC(C)(C)n1cccc1C1CC1.CC(C)(C)n1ccccc1=O.CC(C)(C)n1cccn1.CC(C)(C)n1cnc2ccccc21.CC(C)(C)n1cnnc1.CCN(CC)C(C)(C)C.CCc1cccn1C(C)(C)C.CN(C)C(C)(C)C.CN(C)c1cnc(C(C)(C)C)nc1.COc1ncc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1ccnc(C(C)(C)C)n1.Cc1cnc(C(C)(C)C)nc1.Cc1ncc(C(C)(C)C)cn1.[C-]#[N+]c1cccn1C(C)(C)C
InChIInChI=1S/C12H23N.2C11H14N2.C11H17N.C10H17N3.5C10H15N.C10H17N.C9H12FN.C9H14N2O.2C9H14N2.C9H12N2.C9H14N2.C9H13NO.C9H13N.3C8H12N2.C8H13N.C8H19N.C7H12N2.C7H11NO.C7H14O2.C6H11N3.C6H15N/c1-12(2,3)10-6-8-13(9-7-10)11-4-5-11;1-11(2,3)13-8-6-9-5-4-7-12-10(9)13;1-11(2,3)13-8-12-9-6-4-5-7-10(9)13;1-11(2,3)12-8-4-5-10(12)9-6-7-9;1-10(2,3)9-11-6-8(7-12-9)13(4)5;2*1-8-5-6-9(7-11-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;2*1-8-6-5-7-9(11-8)10(2,3)4;1-5-9-7-6-8-11(9)10(2,3)4;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)7-5-10-8(12-4)11-6-7;1-7-10-5-8(6-11-7)9(2,3)4;1-7-5-10-8(11-6-7)9(2,3)4;1-9(2,3)11-7-5-6-8(11)10-4;1-7-5-6-10-8(11-7)9(2,3)4;1-9(2,3)10-7-5-4-6-8(10)11;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)9-6-4-5-7-9;1-6-9(7-2)8(3,4)5;1-7(2,3)9-6-4-5-8-9;2*1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-4-7-8-5-9;1-6(2,3)7(4)5/h10-11H,4-9H2,1-3H3;2*4-8H,1-3H3;4-5,8-9H,6-7H2,1-3H3;6-7H,1-5H3;5*5-7H,1-4H3;6-8H,5H2,1-4H3;4-6H,1-3H3;5-6H,1-4H3;2*5-6H,1-4H3;5-7H,1-3H3;5-6H,1-4H3;4-7H,1-3H3;4-7H,1-3H3;3*4-6H,1-3H3;4-7H,1-3H3;6-7H2,1-5H3;4-6H,1-3H3;4-5H,1-3H3;6H,4-5H2,1-3H3;4-5H,1-3H3;1-5H3
InChIKeyIYJPTZWVJIIGTH-UHFFFAOYSA-N
MW4241.47 g/mol
LogP64.11
Rot. Bonds7

About 1-tert-butylbenzimidazole;4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-N,N-dimethylpyrimidin-5-amine;2-tert-butyl-1,3-dioxolane;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;1-tert-butylpyridin-2-one;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,2,4-triazole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine

1-tert-butylbenzimidazole;4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-N,N-dimethylpyrimidin-5-amine;2-tert-butyl-1,3-dioxolane;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;1-tert-butylpyridin-2-one;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,2,4-triazole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine (PubChem CID 158842215) has the molecular formula C260H414FN43O5 and a molecular weight of 4241.47 g/mol. Its IUPAC name is 1-tert-butylbenzimidazole;4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-N,N-dimethylpyrimidin-5-amine;2-tert-butyl-1,3-dioxolane;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;1-tert-butylpyridin-2-one;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,2,4-triazole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-tert-butylbenzimidazole;4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-N,N-dimethylpyrimidin-5-amine;2-tert-butyl-1,3-dioxolane;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;1-tert-butylpyridin-2-one;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,2,4-triazole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine
PubChem CID158842215
Molecular FormulaC260H414FN43O5
Molecular Weight4241.47 g/mol
Exact Mass4238.34
IUPAC Name1-tert-butylbenzimidazole;4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-N,N-dimethylpyrimidin-5-amine;2-tert-butyl-1,3-dioxolane;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;1-tert-butylpyridin-2-one;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,2,4-triazole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine
SMILESCC(C)(C)C1CCN(C2CC2)CC1.CC(C)(C)C1OCCO1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccnnc1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncco1.CC(C)(C)n1ccc2cccnc21.CC(C)(C)n1cccc1.CC(C)(C)n1cccc1C1CC1.CC(C)(C)n1ccccc1=O.CC(C)(C)n1cccn1.CC(C)(C)n1cnc2ccccc21.CC(C)(C)n1cnnc1.CCN(CC)C(C)(C)C.CCc1cccn1C(C)(C)C.CN(C)C(C)(C)C.CN(C)c1cnc(C(C)(C)C)nc1.COc1ncc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1ccnc(C(C)(C)C)n1.Cc1cnc(C(C)(C)C)nc1.Cc1ncc(C(C)(C)C)cn1.[C-]#[N+]c1cccn1C(C)(C)C
InChIInChI=1S/C12H23N.2C11H14N2.C11H17N.C10H17N3.5C10H15N.C10H17N.C9H12FN.C9H14N2O.2C9H14N2.C9H12N2.C9H14N2.C9H13NO.C9H13N.3C8H12N2.C8H13N.C8H19N.C7H12N2.C7H11NO.C7H14O2.C6H11N3.C6H15N/c1-12(2,3)10-6-8-13(9-7-10)11-4-5-11;1-11(2,3)13-8-6-9-5-4-7-12-10(9)13;1-11(2,3)13-8-12-9-6-4-5-7-10(9)13;1-11(2,3)12-8-4-5-10(12)9-6-7-9;1-10(2,3)9-11-6-8(7-12-9)13(4)5;2*1-8-5-6-9(7-11-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;2*1-8-6-5-7-9(11-8)10(2,3)4;1-5-9-7-6-8-11(9)10(2,3)4;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)7-5-10-8(12-4)11-6-7;1-7-10-5-8(6-11-7)9(2,3)4;1-7-5-10-8(11-6-7)9(2,3)4;1-9(2,3)11-7-5-6-8(11)10-4;1-7-5-6-10-8(11-7)9(2,3)4;1-9(2,3)10-7-5-4-6-8(10)11;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)9-6-4-5-7-9;1-6-9(7-2)8(3,4)5;1-7(2,3)9-6-4-5-8-9;2*1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-4-7-8-5-9;1-6(2,3)7(4)5/h10-11H,4-9H2,1-3H3;2*4-8H,1-3H3;4-5,8-9H,6-7H2,1-3H3;6-7H,1-5H3;5*5-7H,1-4H3;6-8H,5H2,1-4H3;4-6H,1-3H3;5-6H,1-4H3;2*5-6H,1-4H3;5-7H,1-3H3;5-6H,1-4H3;4-7H,1-3H3;4-7H,1-3H3;3*4-6H,1-3H3;4-7H,1-3H3;6-7H2,1-5H3;4-6H,1-3H3;4-5H,1-3H3;6H,4-5H2,1-3H3;4-5H,1-3H3;1-5H3
InChIKeyIYJPTZWVJIIGTH-UHFFFAOYSA-N
XLogP64.11
TPSA493.40 Ų
H-Bond Donors
H-Bond Acceptors47
Rotatable Bonds7
Heavy Atoms309
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004241.47
LogP ≤ 564.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1047

Analyze 1-tert-butylbenzimidazole;4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-N,N-dimethylpyrimidin-5-amine;2-tert-butyl-1,3-dioxolane;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;1-tert-butylpyridin-2-one;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,2,4-triazole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylbenzimidazole;4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-N,N-dimethylpyrimidin-5-amine;2-tert-butyl-1,3-dioxolane;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;1-tert-butylpyridin-2-one;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,2,4-triazole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-tert-butylbenzimidazole;4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-N,N-dimethylpyrimidin-5-amine;2-tert-butyl-1,3-dioxolane;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;1-tert-butylpyridin-2-one;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,2,4-triazole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine (CID 158842215) is 1-tert-butylbenzimidazole;4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-N,N-dimethylpyrimidin-5-amine;2-tert-butyl-1,3-dioxolane;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;1-tert-butylpyridin-2-one;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,2,4-triazole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-tert-butylbenzimidazole;4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-N,N-dimethylpyrimidin-5-amine;2-tert-butyl-1,3-dioxolane;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;1-tert-butylpyridin-2-one;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,2,4-triazole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-tert-butylbenzimidazole;4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-N,N-dimethylpyrimidin-5-amine;2-tert-butyl-1,3-dioxolane;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;1-tert-butylpyridin-2-one;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,2,4-triazole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine is CC(C)(C)C1CCN(C2CC2)CC1.CC(C)(C)C1OCCO1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccnnc1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncco1.CC(C)(C)n1ccc2cccnc21.CC(C)(C)n1cccc1.CC(C)(C)n1cccc1C1CC1.CC(C)(C)n1ccccc1=O.CC(C)(C)n1cccn1.CC(C)(C)n1cnc2ccccc21.CC(C)(C)n1cnnc1.CCN(CC)C(C)(C)C.CCc1cccn1C(C)(C)C.CN(C)C(C)(C)C.CN(C)c1cnc(C(C)(C)C)nc1.COc1ncc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1ccnc(C(C)(C)C)n1.Cc1cnc(C(C)(C)C)nc1.Cc1ncc(C(C)(C)C)cn1.[C-]#[N+]c1cccn1C(C)(C)C.
What is the InChIKey of 1-tert-butylbenzimidazole;4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-N,N-dimethylpyrimidin-5-amine;2-tert-butyl-1,3-dioxolane;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;1-tert-butylpyridin-2-one;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,2,4-triazole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine?
The InChIKey is IYJPTZWVJIIGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.2C11H14N2.C11H17N.C10H17N3.5C10H15N.C10H17N.C9H12FN.C9H14N2O.2C9H14N2.C9H12N2.C9H14N2.C9H13NO.C9H13N.3C8H12N2.C8H13N.C8H19N.C7H12N2.C7H11NO.C7H14O2.C6H11N3.C6H15N/c1-12(2,3)10-6-8-13(9-7-10)11-4-5-11;1-11(2,3)13-8-6-9-5-4-7-12-10(9)13;1-11(2,3)13-8-12-9-6-4-5-7-10(9)13;1-11(2,3)12-8-4-5-10(12)9-6-7-9;1-10(2,3)9-11-6-8(7-12-9)13(4)5;2*1-8-5-6-9(7-11-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;2*1-8-6-5-7-9(11-8)10(2,3)4;1-5-9-7-6-8-11(9)10(2,3)4;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)7-5-10-8(12-4)11-6-7;1-7-10-5-8(6-11-7)9(2,3)4;1-7-5-10-8(11-6-7)9(2,3)4;1-9(2,3)11-7-5-6-8(11)10-4;1-7-5-6-10-8(11-7)9(2,3)4;1-9(2,3)10-7-5-4-6-8(10)11;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)9-6-4-5-7-9;1-6-9(7-2)8(3,4)5;1-7(2,3)9-6-4-5-8-9;2*1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-4-7-8-5-9;1-6(2,3)7(4)5/h10-11H,4-9H2,1-3H3;2*4-8H,1-3H3;4-5,8-9H,6-7H2,1-3H3;6-7H,1-5H3;5*5-7H,1-4H3;6-8H,5H2,1-4H3;4-6H,1-3H3;5-6H,1-4H3;2*5-6H,1-4H3;5-7H,1-3H3;5-6H,1-4H3;4-7H,1-3H3;4-7H,1-3H3;3*4-6H,1-3H3;4-7H,1-3H3;6-7H2,1-5H3;4-6H,1-3H3;4-5H,1-3H3;6H,4-5H2,1-3H3;4-5H,1-3H3;1-5H3.
What are the key properties of 1-tert-butylbenzimidazole;4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-N,N-dimethylpyrimidin-5-amine;2-tert-butyl-1,3-dioxolane;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;1-tert-butylpyridin-2-one;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,2,4-triazole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine?
1-tert-butylbenzimidazole;4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-N,N-dimethylpyrimidin-5-amine;2-tert-butyl-1,3-dioxolane;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;1-tert-butylpyridin-2-one;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,2,4-triazole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine has a molecular weight of 4241.47 g/mol, XLogP of 64.11, 7 rotatable bonds, 0 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylbenzimidazole;4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-N,N-dimethylpyrimidin-5-amine;2-tert-butyl-1,3-dioxolane;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;1-tert-butylpyridin-2-one;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,2,4-triazole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 158842215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).