6-bromo-2-tert-butyl-1H-benzimidazole;N-butyl-4-tert-butylpyridin-2-amine;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline

C135H201BrF3N17O5 — CID 160820670

IUPAC6-bromo-2-tert-butyl-1H-benzimidazole;N-butyl-4-tert-butylpyridin-2-amine;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline
SMILESCC(=O)N(C)CCCc1cc(C(C)(C)C)ccn1.CC(C)(C)c1ccc2cc(O)ccc2c1.CC(C)(C)c1ccnc(NCCN)c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cncc(CCCNCC(F)(F)F)c1.CC(C)(C)c1nc2ccc(Br)cc2[nH]1.CCCCNc1cc(C(C)(C)C)ccn1.Cc1cnc(CC2CCOC2)cc1C(C)(C)C.Cc1cnc(CC2CCOCC2)cc1C(C)(C)C.Cn1nc(NC2CCOCC2)cc1C(C)(C)C
InChIInChI=1S/C16H25NO.C15H24N2O.C15H23NO.C14H21F3N2.C14H16O.C13H23N3O.C13H22N2.C13H15N.C11H13BrN2.C11H19N3/c1-12-11-17-14(10-15(12)16(2,3)4)9-13-5-7-18-8-6-13;1-12(18)17(5)10-6-7-14-11-13(8-9-16-14)15(2,3)4;1-11-9-16-13(7-12-5-6-17-10-12)8-14(11)15(2,3)4;1-13(2,3)12-7-11(8-19-9-12)5-4-6-18-10-14(15,16)17;1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12;1-13(2,3)11-9-12(15-16(11)4)14-10-5-7-17-8-6-10;1-5-6-8-14-12-10-11(7-9-15-12)13(2,3)4;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-11(2,3)10-13-8-5-4-7(12)6-9(8)14-10;1-11(2,3)9-4-6-13-10(8-9)14-7-5-12/h10-11,13H,5-9H2,1-4H3;8-9,11H,6-7,10H2,1-5H3;8-9,12H,5-7,10H2,1-4H3;7-9,18H,4-6,10H2,1-3H3;4-9,15H,1-3H3;9-10H,5-8H2,1-4H3,(H,14,15);7,9-10H,5-6,8H2,1-4H3,(H,14,15);4-9H,1-3H3;4-6H,1-3H3,(H,13,14);4,6,8H,5,7,12H2,1-3H3,(H,13,14)
InChIKeySFMTWOFPMWVLGD-UHFFFAOYSA-N
MW2279.10 g/mol
LogP31.82
Rot. Bonds22

About 6-bromo-2-tert-butyl-1H-benzimidazole;N-butyl-4-tert-butylpyridin-2-amine;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline

6-bromo-2-tert-butyl-1H-benzimidazole;N-butyl-4-tert-butylpyridin-2-amine;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline (PubChem CID 160820670) has the molecular formula C135H201BrF3N17O5 and a molecular weight of 2279.10 g/mol. Its IUPAC name is 6-bromo-2-tert-butyl-1H-benzimidazole;N-butyl-4-tert-butylpyridin-2-amine;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline.

Molecular Properties

Compound Name6-bromo-2-tert-butyl-1H-benzimidazole;N-butyl-4-tert-butylpyridin-2-amine;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline
PubChem CID160820670
Molecular FormulaC135H201BrF3N17O5
Molecular Weight2279.10 g/mol
Exact Mass2276.51
IUPAC Name6-bromo-2-tert-butyl-1H-benzimidazole;N-butyl-4-tert-butylpyridin-2-amine;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline
SMILESCC(=O)N(C)CCCc1cc(C(C)(C)C)ccn1.CC(C)(C)c1ccc2cc(O)ccc2c1.CC(C)(C)c1ccnc(NCCN)c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cncc(CCCNCC(F)(F)F)c1.CC(C)(C)c1nc2ccc(Br)cc2[nH]1.CCCCNc1cc(C(C)(C)C)ccn1.Cc1cnc(CC2CCOC2)cc1C(C)(C)C.Cc1cnc(CC2CCOCC2)cc1C(C)(C)C.Cn1nc(NC2CCOCC2)cc1C(C)(C)C
InChIInChI=1S/C16H25NO.C15H24N2O.C15H23NO.C14H21F3N2.C14H16O.C13H23N3O.C13H22N2.C13H15N.C11H13BrN2.C11H19N3/c1-12-11-17-14(10-15(12)16(2,3)4)9-13-5-7-18-8-6-13;1-12(18)17(5)10-6-7-14-11-13(8-9-16-14)15(2,3)4;1-11-9-16-13(7-12-5-6-17-10-12)8-14(11)15(2,3)4;1-13(2,3)12-7-11(8-19-9-12)5-4-6-18-10-14(15,16)17;1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12;1-13(2,3)11-9-12(15-16(11)4)14-10-5-7-17-8-6-10;1-5-6-8-14-12-10-11(7-9-15-12)13(2,3)4;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-11(2,3)10-13-8-5-4-7(12)6-9(8)14-10;1-11(2,3)9-4-6-13-10(8-9)14-7-5-12/h10-11,13H,5-9H2,1-4H3;8-9,11H,6-7,10H2,1-5H3;8-9,12H,5-7,10H2,1-4H3;7-9,18H,4-6,10H2,1-3H3;4-9,15H,1-3H3;9-10H,5-8H2,1-4H3,(H,14,15);7,9-10H,5-6,8H2,1-4H3,(H,14,15);4-9H,1-3H3;4-6H,1-3H3,(H,13,14);4,6,8H,5,7,12H2,1-3H3,(H,13,14)
InChIKeySFMTWOFPMWVLGD-UHFFFAOYSA-N
XLogP31.82
TPSA279.10 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002279.10
LogP ≤ 531.82
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 6-bromo-2-tert-butyl-1H-benzimidazole;N-butyl-4-tert-butylpyridin-2-amine;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-tert-butyl-1H-benzimidazole;N-butyl-4-tert-butylpyridin-2-amine;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline?
The IUPAC name of 6-bromo-2-tert-butyl-1H-benzimidazole;N-butyl-4-tert-butylpyridin-2-amine;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline (CID 160820670) is 6-bromo-2-tert-butyl-1H-benzimidazole;N-butyl-4-tert-butylpyridin-2-amine;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline.
What is the SMILES notation for 6-bromo-2-tert-butyl-1H-benzimidazole;N-butyl-4-tert-butylpyridin-2-amine;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline?
The canonical SMILES for 6-bromo-2-tert-butyl-1H-benzimidazole;N-butyl-4-tert-butylpyridin-2-amine;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline is CC(=O)N(C)CCCc1cc(C(C)(C)C)ccn1.CC(C)(C)c1ccc2cc(O)ccc2c1.CC(C)(C)c1ccnc(NCCN)c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cncc(CCCNCC(F)(F)F)c1.CC(C)(C)c1nc2ccc(Br)cc2[nH]1.CCCCNc1cc(C(C)(C)C)ccn1.Cc1cnc(CC2CCOC2)cc1C(C)(C)C.Cc1cnc(CC2CCOCC2)cc1C(C)(C)C.Cn1nc(NC2CCOCC2)cc1C(C)(C)C.
What is the InChIKey of 6-bromo-2-tert-butyl-1H-benzimidazole;N-butyl-4-tert-butylpyridin-2-amine;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline?
The InChIKey is SFMTWOFPMWVLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO.C15H24N2O.C15H23NO.C14H21F3N2.C14H16O.C13H23N3O.C13H22N2.C13H15N.C11H13BrN2.C11H19N3/c1-12-11-17-14(10-15(12)16(2,3)4)9-13-5-7-18-8-6-13;1-12(18)17(5)10-6-7-14-11-13(8-9-16-14)15(2,3)4;1-11-9-16-13(7-12-5-6-17-10-12)8-14(11)15(2,3)4;1-13(2,3)12-7-11(8-19-9-12)5-4-6-18-10-14(15,16)17;1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12;1-13(2,3)11-9-12(15-16(11)4)14-10-5-7-17-8-6-10;1-5-6-8-14-12-10-11(7-9-15-12)13(2,3)4;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-11(2,3)10-13-8-5-4-7(12)6-9(8)14-10;1-11(2,3)9-4-6-13-10(8-9)14-7-5-12/h10-11,13H,5-9H2,1-4H3;8-9,11H,6-7,10H2,1-5H3;8-9,12H,5-7,10H2,1-4H3;7-9,18H,4-6,10H2,1-3H3;4-9,15H,1-3H3;9-10H,5-8H2,1-4H3,(H,14,15);7,9-10H,5-6,8H2,1-4H3,(H,14,15);4-9H,1-3H3;4-6H,1-3H3,(H,13,14);4,6,8H,5,7,12H2,1-3H3,(H,13,14).
What are the key properties of 6-bromo-2-tert-butyl-1H-benzimidazole;N-butyl-4-tert-butylpyridin-2-amine;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline?
6-bromo-2-tert-butyl-1H-benzimidazole;N-butyl-4-tert-butylpyridin-2-amine;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline has a molecular weight of 2279.10 g/mol, XLogP of 31.82, 22 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-tert-butyl-1H-benzimidazole;N-butyl-4-tert-butylpyridin-2-amine;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline is sourced from PubChem (CID 160820670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).