6-tert-butyl-4,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole;1,3-ditert-butyl-2-propan-2-ylbenzene;3,5-ditert-butyl-4-propan-2-ylmorpholine;bis(2,6-ditert-butyl-1-propan-2-ylpiperazine);2,6-ditert-butyl-1-propan-2-ylpiperidine;3,5-ditert-butyl-4-propan-2-ylpyridazine;2,4-ditert-butyl-3-propan-2-ylpyridine;bis(4,6-ditert-butyl-5-propan-2-ylpyrimidine);3,5-ditert-butyl-4-propan-2-ylthiomorpholine;1,3,3-tri(propan-2-yl)azetidine

C181H344N18OS — CID 159663129

IUPAC6-tert-butyl-4,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole;1,3-ditert-butyl-2-propan-2-ylbenzene;3,5-ditert-butyl-4-propan-2-ylmorpholine;bis(2,6-ditert-butyl-1-propan-2-ylpiperazine);2,6-ditert-butyl-1-propan-2-ylpiperidine;3,5-ditert-butyl-4-propan-2-ylpyridazine;2,4-ditert-butyl-3-propan-2-ylpyridine;bis(4,6-ditert-butyl-5-propan-2-ylpyrimidine);3,5-ditert-butyl-4-propan-2-ylthiomorpholine;1,3,3-tri(propan-2-yl)azetidine
SMILESCC(C)C1c2nc[nH]c2C(C(C)(C)C)N1C(C)C.CC(C)N1C(C(C)(C)C)CCCC1C(C)(C)C.CC(C)N1C(C(C)(C)C)CNCC1C(C)(C)C.CC(C)N1C(C(C)(C)C)CNCC1C(C)(C)C.CC(C)N1C(C(C)(C)C)COCC1C(C)(C)C.CC(C)N1C(C(C)(C)C)CSCC1C(C)(C)C.CC(C)N1CC(C(C)C)(C(C)C)C1.CC(C)c1c(C(C)(C)C)cccc1C(C)(C)C.CC(C)c1c(C(C)(C)C)ccnc1C(C)(C)C.CC(C)c1c(C(C)(C)C)cnnc1C(C)(C)C.CC(C)c1c(C(C)(C)C)ncnc1C(C)(C)C.CC(C)c1c(C(C)(C)C)ncnc1C(C)(C)C
InChIInChI=1S/C17H28.C16H33N.C16H27N.C15H27N3.2C15H32N2.3C15H26N2.C15H31NO.C15H31NS.C12H25N/c1-12(2)15-13(16(3,4)5)10-9-11-14(15)17(6,7)8;1-12(2)17-13(15(3,4)5)10-9-11-14(17)16(6,7)8;1-11(2)13-12(15(3,4)5)9-10-17-14(13)16(6,7)8;1-9(2)13-11-12(17-8-16-11)14(15(5,6)7)18(13)10(3)4;2*1-11(2)17-12(14(3,4)5)9-16-10-13(17)15(6,7)8;2*1-10(2)11-12(14(3,4)5)16-9-17-13(11)15(6,7)8;1-10(2)12-11(14(3,4)5)9-16-17-13(12)15(6,7)8;2*1-11(2)16-12(14(3,4)5)9-17-10-13(16)15(6,7)8;1-9(2)12(10(3)4)7-13(8-12)11(5)6/h9-12H,1-8H3;12-14H,9-11H2,1-8H3;9-11H,1-8H3;8-10,13-14H,1-7H3,(H,16,17);2*11-13,16H,9-10H2,1-8H3;3*9-10H,1-8H3;2*11-13H,9-10H2,1-8H3;9-11H,7-8H2,1-6H3
InChIKeyMTBKBTCDBHEWRY-UHFFFAOYSA-N
MW2820.93 g/mol
LogP48.52
Rot. Bonds15

About 6-tert-butyl-4,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole;1,3-ditert-butyl-2-propan-2-ylbenzene;3,5-ditert-butyl-4-propan-2-ylmorpholine;bis(2,6-ditert-butyl-1-propan-2-ylpiperazine);2,6-ditert-butyl-1-propan-2-ylpiperidine;3,5-ditert-butyl-4-propan-2-ylpyridazine;2,4-ditert-butyl-3-propan-2-ylpyridine;bis(4,6-ditert-butyl-5-propan-2-ylpyrimidine);3,5-ditert-butyl-4-propan-2-ylthiomorpholine;1,3,3-tri(propan-2-yl)azetidine

6-tert-butyl-4,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole;1,3-ditert-butyl-2-propan-2-ylbenzene;3,5-ditert-butyl-4-propan-2-ylmorpholine;bis(2,6-ditert-butyl-1-propan-2-ylpiperazine);2,6-ditert-butyl-1-propan-2-ylpiperidine;3,5-ditert-butyl-4-propan-2-ylpyridazine;2,4-ditert-butyl-3-propan-2-ylpyridine;bis(4,6-ditert-butyl-5-propan-2-ylpyrimidine);3,5-ditert-butyl-4-propan-2-ylthiomorpholine;1,3,3-tri(propan-2-yl)azetidine (PubChem CID 159663129) has the molecular formula C181H344N18OS and a molecular weight of 2820.93 g/mol. Its IUPAC name is 6-tert-butyl-4,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole;1,3-ditert-butyl-2-propan-2-ylbenzene;3,5-ditert-butyl-4-propan-2-ylmorpholine;bis(2,6-ditert-butyl-1-propan-2-ylpiperazine);2,6-ditert-butyl-1-propan-2-ylpiperidine;3,5-ditert-butyl-4-propan-2-ylpyridazine;2,4-ditert-butyl-3-propan-2-ylpyridine;bis(4,6-ditert-butyl-5-propan-2-ylpyrimidine);3,5-ditert-butyl-4-propan-2-ylthiomorpholine;1,3,3-tri(propan-2-yl)azetidine.

Molecular Properties

Compound Name6-tert-butyl-4,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole;1,3-ditert-butyl-2-propan-2-ylbenzene;3,5-ditert-butyl-4-propan-2-ylmorpholine;bis(2,6-ditert-butyl-1-propan-2-ylpiperazine);2,6-ditert-butyl-1-propan-2-ylpiperidine;3,5-ditert-butyl-4-propan-2-ylpyridazine;2,4-ditert-butyl-3-propan-2-ylpyridine;bis(4,6-ditert-butyl-5-propan-2-ylpyrimidine);3,5-ditert-butyl-4-propan-2-ylthiomorpholine;1,3,3-tri(propan-2-yl)azetidine
PubChem CID159663129
Molecular FormulaC181H344N18OS
Molecular Weight2820.93 g/mol
Exact Mass2818.71
IUPAC Name6-tert-butyl-4,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole;1,3-ditert-butyl-2-propan-2-ylbenzene;3,5-ditert-butyl-4-propan-2-ylmorpholine;bis(2,6-ditert-butyl-1-propan-2-ylpiperazine);2,6-ditert-butyl-1-propan-2-ylpiperidine;3,5-ditert-butyl-4-propan-2-ylpyridazine;2,4-ditert-butyl-3-propan-2-ylpyridine;bis(4,6-ditert-butyl-5-propan-2-ylpyrimidine);3,5-ditert-butyl-4-propan-2-ylthiomorpholine;1,3,3-tri(propan-2-yl)azetidine
SMILESCC(C)C1c2nc[nH]c2C(C(C)(C)C)N1C(C)C.CC(C)N1C(C(C)(C)C)CCCC1C(C)(C)C.CC(C)N1C(C(C)(C)C)CNCC1C(C)(C)C.CC(C)N1C(C(C)(C)C)CNCC1C(C)(C)C.CC(C)N1C(C(C)(C)C)COCC1C(C)(C)C.CC(C)N1C(C(C)(C)C)CSCC1C(C)(C)C.CC(C)N1CC(C(C)C)(C(C)C)C1.CC(C)c1c(C(C)(C)C)cccc1C(C)(C)C.CC(C)c1c(C(C)(C)C)ccnc1C(C)(C)C.CC(C)c1c(C(C)(C)C)cnnc1C(C)(C)C.CC(C)c1c(C(C)(C)C)ncnc1C(C)(C)C.CC(C)c1c(C(C)(C)C)ncnc1C(C)(C)C
InChIInChI=1S/C17H28.C16H33N.C16H27N.C15H27N3.2C15H32N2.3C15H26N2.C15H31NO.C15H31NS.C12H25N/c1-12(2)15-13(16(3,4)5)10-9-11-14(15)17(6,7)8;1-12(2)17-13(15(3,4)5)10-9-11-14(17)16(6,7)8;1-11(2)13-12(15(3,4)5)9-10-17-14(13)16(6,7)8;1-9(2)13-11-12(17-8-16-11)14(15(5,6)7)18(13)10(3)4;2*1-11(2)17-12(14(3,4)5)9-16-10-13(17)15(6,7)8;2*1-10(2)11-12(14(3,4)5)16-9-17-13(11)15(6,7)8;1-10(2)12-11(14(3,4)5)9-16-17-13(12)15(6,7)8;2*1-11(2)16-12(14(3,4)5)9-17-10-13(16)15(6,7)8;1-9(2)12(10(3)4)7-13(8-12)11(5)6/h9-12H,1-8H3;12-14H,9-11H2,1-8H3;9-11H,1-8H3;8-10,13-14H,1-7H3,(H,16,17);2*11-13,16H,9-10H2,1-8H3;3*9-10H,1-8H3;2*11-13H,9-10H2,1-8H3;9-11H,7-8H2,1-6H3
InChIKeyMTBKBTCDBHEWRY-UHFFFAOYSA-N
XLogP48.52
TPSA174.88 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002820.93
LogP ≤ 548.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 6-tert-butyl-4,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole;1,3-ditert-butyl-2-propan-2-ylbenzene;3,5-ditert-butyl-4-propan-2-ylmorpholine;bis(2,6-ditert-butyl-1-propan-2-ylpiperazine);2,6-ditert-butyl-1-propan-2-ylpiperidine;3,5-ditert-butyl-4-propan-2-ylpyridazine;2,4-ditert-butyl-3-propan-2-ylpyridine;bis(4,6-ditert-butyl-5-propan-2-ylpyrimidine);3,5-ditert-butyl-4-propan-2-ylthiomorpholine;1,3,3-tri(propan-2-yl)azetidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole;1,3-ditert-butyl-2-propan-2-ylbenzene;3,5-ditert-butyl-4-propan-2-ylmorpholine;bis(2,6-ditert-butyl-1-propan-2-ylpiperazine);2,6-ditert-butyl-1-propan-2-ylpiperidine;3,5-ditert-butyl-4-propan-2-ylpyridazine;2,4-ditert-butyl-3-propan-2-ylpyridine;bis(4,6-ditert-butyl-5-propan-2-ylpyrimidine);3,5-ditert-butyl-4-propan-2-ylthiomorpholine;1,3,3-tri(propan-2-yl)azetidine?
The IUPAC name of 6-tert-butyl-4,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole;1,3-ditert-butyl-2-propan-2-ylbenzene;3,5-ditert-butyl-4-propan-2-ylmorpholine;bis(2,6-ditert-butyl-1-propan-2-ylpiperazine);2,6-ditert-butyl-1-propan-2-ylpiperidine;3,5-ditert-butyl-4-propan-2-ylpyridazine;2,4-ditert-butyl-3-propan-2-ylpyridine;bis(4,6-ditert-butyl-5-propan-2-ylpyrimidine);3,5-ditert-butyl-4-propan-2-ylthiomorpholine;1,3,3-tri(propan-2-yl)azetidine (CID 159663129) is 6-tert-butyl-4,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole;1,3-ditert-butyl-2-propan-2-ylbenzene;3,5-ditert-butyl-4-propan-2-ylmorpholine;bis(2,6-ditert-butyl-1-propan-2-ylpiperazine);2,6-ditert-butyl-1-propan-2-ylpiperidine;3,5-ditert-butyl-4-propan-2-ylpyridazine;2,4-ditert-butyl-3-propan-2-ylpyridine;bis(4,6-ditert-butyl-5-propan-2-ylpyrimidine);3,5-ditert-butyl-4-propan-2-ylthiomorpholine;1,3,3-tri(propan-2-yl)azetidine.
What is the SMILES notation for 6-tert-butyl-4,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole;1,3-ditert-butyl-2-propan-2-ylbenzene;3,5-ditert-butyl-4-propan-2-ylmorpholine;bis(2,6-ditert-butyl-1-propan-2-ylpiperazine);2,6-ditert-butyl-1-propan-2-ylpiperidine;3,5-ditert-butyl-4-propan-2-ylpyridazine;2,4-ditert-butyl-3-propan-2-ylpyridine;bis(4,6-ditert-butyl-5-propan-2-ylpyrimidine);3,5-ditert-butyl-4-propan-2-ylthiomorpholine;1,3,3-tri(propan-2-yl)azetidine?
The canonical SMILES for 6-tert-butyl-4,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole;1,3-ditert-butyl-2-propan-2-ylbenzene;3,5-ditert-butyl-4-propan-2-ylmorpholine;bis(2,6-ditert-butyl-1-propan-2-ylpiperazine);2,6-ditert-butyl-1-propan-2-ylpiperidine;3,5-ditert-butyl-4-propan-2-ylpyridazine;2,4-ditert-butyl-3-propan-2-ylpyridine;bis(4,6-ditert-butyl-5-propan-2-ylpyrimidine);3,5-ditert-butyl-4-propan-2-ylthiomorpholine;1,3,3-tri(propan-2-yl)azetidine is CC(C)C1c2nc[nH]c2C(C(C)(C)C)N1C(C)C.CC(C)N1C(C(C)(C)C)CCCC1C(C)(C)C.CC(C)N1C(C(C)(C)C)CNCC1C(C)(C)C.CC(C)N1C(C(C)(C)C)CNCC1C(C)(C)C.CC(C)N1C(C(C)(C)C)COCC1C(C)(C)C.CC(C)N1C(C(C)(C)C)CSCC1C(C)(C)C.CC(C)N1CC(C(C)C)(C(C)C)C1.CC(C)c1c(C(C)(C)C)cccc1C(C)(C)C.CC(C)c1c(C(C)(C)C)ccnc1C(C)(C)C.CC(C)c1c(C(C)(C)C)cnnc1C(C)(C)C.CC(C)c1c(C(C)(C)C)ncnc1C(C)(C)C.CC(C)c1c(C(C)(C)C)ncnc1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-4,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole;1,3-ditert-butyl-2-propan-2-ylbenzene;3,5-ditert-butyl-4-propan-2-ylmorpholine;bis(2,6-ditert-butyl-1-propan-2-ylpiperazine);2,6-ditert-butyl-1-propan-2-ylpiperidine;3,5-ditert-butyl-4-propan-2-ylpyridazine;2,4-ditert-butyl-3-propan-2-ylpyridine;bis(4,6-ditert-butyl-5-propan-2-ylpyrimidine);3,5-ditert-butyl-4-propan-2-ylthiomorpholine;1,3,3-tri(propan-2-yl)azetidine?
The InChIKey is MTBKBTCDBHEWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28.C16H33N.C16H27N.C15H27N3.2C15H32N2.3C15H26N2.C15H31NO.C15H31NS.C12H25N/c1-12(2)15-13(16(3,4)5)10-9-11-14(15)17(6,7)8;1-12(2)17-13(15(3,4)5)10-9-11-14(17)16(6,7)8;1-11(2)13-12(15(3,4)5)9-10-17-14(13)16(6,7)8;1-9(2)13-11-12(17-8-16-11)14(15(5,6)7)18(13)10(3)4;2*1-11(2)17-12(14(3,4)5)9-16-10-13(17)15(6,7)8;2*1-10(2)11-12(14(3,4)5)16-9-17-13(11)15(6,7)8;1-10(2)12-11(14(3,4)5)9-16-17-13(12)15(6,7)8;2*1-11(2)16-12(14(3,4)5)9-17-10-13(16)15(6,7)8;1-9(2)12(10(3)4)7-13(8-12)11(5)6/h9-12H,1-8H3;12-14H,9-11H2,1-8H3;9-11H,1-8H3;8-10,13-14H,1-7H3,(H,16,17);2*11-13,16H,9-10H2,1-8H3;3*9-10H,1-8H3;2*11-13H,9-10H2,1-8H3;9-11H,7-8H2,1-6H3.
What are the key properties of 6-tert-butyl-4,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole;1,3-ditert-butyl-2-propan-2-ylbenzene;3,5-ditert-butyl-4-propan-2-ylmorpholine;bis(2,6-ditert-butyl-1-propan-2-ylpiperazine);2,6-ditert-butyl-1-propan-2-ylpiperidine;3,5-ditert-butyl-4-propan-2-ylpyridazine;2,4-ditert-butyl-3-propan-2-ylpyridine;bis(4,6-ditert-butyl-5-propan-2-ylpyrimidine);3,5-ditert-butyl-4-propan-2-ylthiomorpholine;1,3,3-tri(propan-2-yl)azetidine?
6-tert-butyl-4,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole;1,3-ditert-butyl-2-propan-2-ylbenzene;3,5-ditert-butyl-4-propan-2-ylmorpholine;bis(2,6-ditert-butyl-1-propan-2-ylpiperazine);2,6-ditert-butyl-1-propan-2-ylpiperidine;3,5-ditert-butyl-4-propan-2-ylpyridazine;2,4-ditert-butyl-3-propan-2-ylpyridine;bis(4,6-ditert-butyl-5-propan-2-ylpyrimidine);3,5-ditert-butyl-4-propan-2-ylthiomorpholine;1,3,3-tri(propan-2-yl)azetidine has a molecular weight of 2820.93 g/mol, XLogP of 48.52, 15 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4,5-di(propan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole;1,3-ditert-butyl-2-propan-2-ylbenzene;3,5-ditert-butyl-4-propan-2-ylmorpholine;bis(2,6-ditert-butyl-1-propan-2-ylpiperazine);2,6-ditert-butyl-1-propan-2-ylpiperidine;3,5-ditert-butyl-4-propan-2-ylpyridazine;2,4-ditert-butyl-3-propan-2-ylpyridine;bis(4,6-ditert-butyl-5-propan-2-ylpyrimidine);3,5-ditert-butyl-4-propan-2-ylthiomorpholine;1,3,3-tri(propan-2-yl)azetidine is sourced from PubChem (CID 159663129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).