2-butoxy-6-tert-butylnaphthalene;4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;2-(6-tert-butylnaphthalen-2-yl)oxyethanamine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;4-[3-(4-tert-butylphenoxy)propyl]morpholine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine

C162H252F6N22O7 — CID 161061861

About 2-butoxy-6-tert-butylnaphthalene;4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;2-(6-tert-butylnaphthalen-2-yl)oxyethanamine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;4-[3-(4-tert-butylphenoxy)propyl]morpholine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine

2-butoxy-6-tert-butylnaphthalene;4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;2-(6-tert-butylnaphthalen-2-yl)oxyethanamine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;4-[3-(4-tert-butylphenoxy)propyl]morpholine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 161061861) has the molecular formula C162H252F6N22O7 and a molecular weight of 2733.93 g/mol. Its IUPAC name is 2-butoxy-6-tert-butylnaphthalene;4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;2-(6-tert-butylnaphthalen-2-yl)oxyethanamine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;4-[3-(4-tert-butylphenoxy)propyl]morpholine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

• Compound Name: 2-butoxy-6-tert-butylnaphthalene;4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;2-(6-tert-butylnaphthalen-2-yl)oxyethanamine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;4-[3-(4-tert-butylphenoxy)propyl]morpholine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
• PubChem CID: 161061861
• Molecular Formula: C162H252F6N22O7
• Molecular Weight: 2733.93 g/mol
• Exact Mass: 2731.99
• IUPAC Name: 2-butoxy-6-tert-butylnaphthalene;4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;2-(6-tert-butylnaphthalen-2-yl)oxyethanamine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;4-[3-(4-tert-butylphenoxy)propyl]morpholine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
• SMILES: CC(C)(C)c1cc(CC2CCC2)ncn1.CC(C)(C)c1cc(C[C@H]2CCOC2)ncn1.CC(C)(C)c1ccc(OCCCN2CCCCC2)cc1.CC(C)(C)c1ccc(OCCCN2CCOCC2)cc1.CC(C)(C)c1ccc2cc(OCCN)ccc2c1.CCCCOc1ccc2cc(C(C)(C)C)ccc2c1.CN(C)CCCNc1cc(C(C)(C)C)ncn1.CN(C)CCNc1cc(C(C)(C)C)ncn1.CN(CCCCC(F)(F)F)c1cc(C(C)(C)C)ccn1.COCCNc1cc(C(C)(C)C)ncn1.Cc1cnc(CC2CN(CC(F)(F)F)C2)cc1C(C)(C)C
• InChI: InChI=1S/C18H29NO.C18H24O.C17H27NO2.C16H23F3N2.C16H21NO.C15H23F3N2.C13H24N4.C13H20N2O.C13H20N2.C12H22N4.C11H19N3O/c1-18(2,3)16-8-10-17(11-9-16)20-15-7-14-19-12-5-4-6-13-19;1-5-6-11-19-17-10-8-14-12-16(18(2,3)4)9-7-15(14)13-17;1-17(2,3)15-5-7-16(8-6-15)20-12-4-9-18-10-13-19-14-11-18;1-11-7-20-13(6-14(11)15(2,3)4)5-12-8-21(9-12)10-16(17,18)19;1-16(2,3)14-6-4-13-11-15(18-9-8-17)7-5-12(13)10-14;1-14(2,3)12-7-9-19-13(11-12)20(4)10-6-5-8-15(16,17)18;1-13(2,3)11-9-12(16-10-15-11)14-7-6-8-17(4)5;1-13(2,3)12-7-11(14-9-15-12)6-10-4-5-16-8-10;1-13(2,3)12-8-11(14-9-15-12)7-10-5-4-6-10;1-12(2,3)10-8-11(15-9-14-10)13-6-7-16(4)5;1-11(2,3)9-7-10(14-8-13-9)12-5-6-15-4/h8-11H,4-7,12-15H2,1-3H3;7-10,12-13H,5-6,11H2,1-4H3;5-8H,4,9-14H2,1-3H3;6-7,12H,5,8-10H2,1-4H3;4-7,10-11H,8-9,17H2,1-3H3;7,9,11H,5-6,8,10H2,1-4H3;9-10H,6-8H2,1-5H3,(H,14,15,16);7,9-10H,4-6,8H2,1-3H3;8-10H,4-7H2,1-3H3;8-9H,6-7H2,1-5H3,(H,13,14,15);7-8H,5-6H2,1-4H3,(H,12,13,14)/t;;;;;;;10-;;;/m.......1.../s1
• InChIKey: UDMRHGOTRYBMRB-HYYYMKTESA-N
• XLogP: 35.57
• TPSA: 300.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 42
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2733.93
LogP ≤ 5	35.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-6-tert-butylnaphthalene;4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;2-(6-tert-butylnaphthalen-2-yl)oxyethanamine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;4-[3-(4-tert-butylphenoxy)propyl]morpholine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?

The IUPAC name of 2-butoxy-6-tert-butylnaphthalene;4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;2-(6-tert-butylnaphthalen-2-yl)oxyethanamine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;4-[3-(4-tert-butylphenoxy)propyl]morpholine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine (CID 161061861) is 2-butoxy-6-tert-butylnaphthalene;4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;2-(6-tert-butylnaphthalen-2-yl)oxyethanamine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;4-[3-(4-tert-butylphenoxy)propyl]morpholine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine.

What is the SMILES notation for 2-butoxy-6-tert-butylnaphthalene;4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;2-(6-tert-butylnaphthalen-2-yl)oxyethanamine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;4-[3-(4-tert-butylphenoxy)propyl]morpholine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?

The canonical SMILES for 2-butoxy-6-tert-butylnaphthalene;4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;2-(6-tert-butylnaphthalen-2-yl)oxyethanamine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;4-[3-(4-tert-butylphenoxy)propyl]morpholine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine is CC(C)(C)c1cc(CC2CCC2)ncn1.CC(C)(C)c1cc(C[C@H]2CCOC2)ncn1.CC(C)(C)c1ccc(OCCCN2CCCCC2)cc1.CC(C)(C)c1ccc(OCCCN2CCOCC2)cc1.CC(C)(C)c1ccc2cc(OCCN)ccc2c1.CCCCOc1ccc2cc(C(C)(C)C)ccc2c1.CN(C)CCCNc1cc(C(C)(C)C)ncn1.CN(C)CCNc1cc(C(C)(C)C)ncn1.CN(CCCCC(F)(F)F)c1cc(C(C)(C)C)ccn1.COCCNc1cc(C(C)(C)C)ncn1.Cc1cnc(CC2CN(CC(F)(F)F)C2)cc1C(C)(C)C.

What is the InChIKey of 2-butoxy-6-tert-butylnaphthalene;4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;2-(6-tert-butylnaphthalen-2-yl)oxyethanamine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;4-[3-(4-tert-butylphenoxy)propyl]morpholine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?

The InChIKey is UDMRHGOTRYBMRB-HYYYMKTESA-N. The full InChI is InChI=1S/C18H29NO.C18H24O.C17H27NO2.C16H23F3N2.C16H21NO.C15H23F3N2.C13H24N4.C13H20N2O.C13H20N2.C12H22N4.C11H19N3O/c1-18(2,3)16-8-10-17(11-9-16)20-15-7-14-19-12-5-4-6-13-19;1-5-6-11-19-17-10-8-14-12-16(18(2,3)4)9-7-15(14)13-17;1-17(2,3)15-5-7-16(8-6-15)20-12-4-9-18-10-13-19-14-11-18;1-11-7-20-13(6-14(11)15(2,3)4)5-12-8-21(9-12)10-16(17,18)19;1-16(2,3)14-6-4-13-11-15(18-9-8-17)7-5-12(13)10-14;1-14(2,3)12-7-9-19-13(11-12)20(4)10-6-5-8-15(16,17)18;1-13(2,3)11-9-12(16-10-15-11)14-7-6-8-17(4)5;1-13(2,3)12-7-11(14-9-15-12)6-10-4-5-16-8-10;1-13(2,3)12-8-11(14-9-15-12)7-10-5-4-6-10;1-12(2,3)10-8-11(15-9-14-10)13-6-7-16(4)5;1-11(2,3)9-7-10(14-8-13-9)12-5-6-15-4/h8-11H,4-7,12-15H2,1-3H3;7-10,12-13H,5-6,11H2,1-4H3;5-8H,4,9-14H2,1-3H3;6-7,12H,5,8-10H2,1-4H3;4-7,10-11H,8-9,17H2,1-3H3;7,9,11H,5-6,8,10H2,1-4H3;9-10H,6-8H2,1-5H3,(H,14,15,16);7,9-10H,4-6,8H2,1-3H3;8-10H,4-7H2,1-3H3;8-9H,6-7H2,1-5H3,(H,13,14,15);7-8H,5-6H2,1-4H3,(H,12,13,14)/t;;;;;;;10-;;;/m.......1.../s1.

What are the key properties of 2-butoxy-6-tert-butylnaphthalene;4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;2-(6-tert-butylnaphthalen-2-yl)oxyethanamine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;4-[3-(4-tert-butylphenoxy)propyl]morpholine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?

2-butoxy-6-tert-butylnaphthalene;4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;2-(6-tert-butylnaphthalen-2-yl)oxyethanamine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;4-[3-(4-tert-butylphenoxy)propyl]morpholine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 2733.93 g/mol, XLogP of 35.57, 42 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butoxy-6-tert-butylnaphthalene;4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;2-(6-tert-butylnaphthalen-2-yl)oxyethanamine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;4-[3-(4-tert-butylphenoxy)propyl]morpholine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 161061861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).