7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;1-tert-butyl-3-methylbenzene;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane 1-oxide;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;methane;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-piperidin-1-yl-5-propan-2-ylpyridine

C124H200N16O3S2 — CID 159061745

About 7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;1-tert-butyl-3-methylbenzene;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane 1-oxide;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;methane;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-piperidin-1-yl-5-propan-2-ylpyridine

7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;1-tert-butyl-3-methylbenzene;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane 1-oxide;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;methane;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-piperidin-1-yl-5-propan-2-ylpyridine (PubChem CID 159061745) has the molecular formula C124H200N16O3S2 and a molecular weight of 2027.21 g/mol. Its IUPAC name is 7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;1-tert-butyl-3-methylbenzene;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane 1-oxide;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;methane;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-piperidin-1-yl-5-propan-2-ylpyridine.

Molecular Properties

• Compound Name: 7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;1-tert-butyl-3-methylbenzene;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane 1-oxide;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;methane;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-piperidin-1-yl-5-propan-2-ylpyridine
• PubChem CID: 159061745
• Molecular Formula: C124H200N16O3S2
• Molecular Weight: 2027.21 g/mol
• Exact Mass: 2025.54
• IUPAC Name: 7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;1-tert-butyl-3-methylbenzene;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane 1-oxide;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;methane;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-piperidin-1-yl-5-propan-2-ylpyridine
• SMILES: C.C.C.C.C=S1(=O)CCN(c2ccc(C(C)(C)C)cn2)CC1.C=S1CCN(c2ccc(C(C)(C)C)cn2)CC1.CC(C)(C)c1cnc2c(c1)OCCN2.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1ccc(N2CCCN(C)CC2)nc1.CC(C)c1ccnc(C(C)C)c1.CCN1CCOc2cc(C(C)C)cnc21.CCc1cc(C(C)C)ccn1.Cc1cc(C(C)C)cc(C)n1.Cc1cccc(C(C)(C)C)c1
• InChI: InChI=1S/C14H23N3.C14H22N2OS.C14H22N2S.C13H20N2.C12H18N2O.C11H16N2O.C11H17N.C11H16.2C10H15N.4CH4/c1-12(2)13-5-6-14(15-11-13)17-8-4-7-16(3)9-10-17;1-14(2,3)12-5-6-13(15-11-12)16-7-9-18(4,17)10-8-16;1-14(2,3)12-5-6-13(15-11-12)16-7-9-17(4)10-8-16;1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-4-14-5-6-15-11-7-10(9(2)3)8-13-12(11)14;1-11(2,3)8-6-9-10(13-7-8)12-4-5-14-9;1-8(2)10-5-6-12-11(7-10)9(3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-7(2)10-5-8(3)11-9(4)6-10;1-4-10-7-9(8(2)3)5-6-11-10;;;;/h5-6,11-12H,4,7-10H2,1-3H3;5-6,11H,4,7-10H2,1-3H3;5-6,11H,4,7-10H2,1-3H3;6-7,10-11H,3-5,8-9H2,1-2H3;7-9H,4-6H2,1-3H3;6-7H,4-5H2,1-3H3,(H,12,13);5-9H,1-4H3;5-8H,1-4H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4*1H4
• InChIKey: JYODLDTXCYQRTN-UHFFFAOYSA-N
• XLogP: 29.72
• TPSA: 183.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2027.21
LogP ≤ 5	29.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;1-tert-butyl-3-methylbenzene;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane 1-oxide;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;methane;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-piperidin-1-yl-5-propan-2-ylpyridine?

The IUPAC name of 7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;1-tert-butyl-3-methylbenzene;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane 1-oxide;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;methane;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-piperidin-1-yl-5-propan-2-ylpyridine (CID 159061745) is 7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;1-tert-butyl-3-methylbenzene;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane 1-oxide;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;methane;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-piperidin-1-yl-5-propan-2-ylpyridine.

What is the SMILES notation for 7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;1-tert-butyl-3-methylbenzene;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane 1-oxide;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;methane;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-piperidin-1-yl-5-propan-2-ylpyridine?

The canonical SMILES for 7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;1-tert-butyl-3-methylbenzene;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane 1-oxide;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;methane;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-piperidin-1-yl-5-propan-2-ylpyridine is C.C.C.C.C=S1(=O)CCN(c2ccc(C(C)(C)C)cn2)CC1.C=S1CCN(c2ccc(C(C)(C)C)cn2)CC1.CC(C)(C)c1cnc2c(c1)OCCN2.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1ccc(N2CCCN(C)CC2)nc1.CC(C)c1ccnc(C(C)C)c1.CCN1CCOc2cc(C(C)C)cnc21.CCc1cc(C(C)C)ccn1.Cc1cc(C(C)C)cc(C)n1.Cc1cccc(C(C)(C)C)c1.

What is the InChIKey of 7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;1-tert-butyl-3-methylbenzene;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane 1-oxide;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;methane;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-piperidin-1-yl-5-propan-2-ylpyridine?

The InChIKey is JYODLDTXCYQRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3.C14H22N2OS.C14H22N2S.C13H20N2.C12H18N2O.C11H16N2O.C11H17N.C11H16.2C10H15N.4CH4/c1-12(2)13-5-6-14(15-11-13)17-8-4-7-16(3)9-10-17;1-14(2,3)12-5-6-13(15-11-12)16-7-9-18(4,17)10-8-16;1-14(2,3)12-5-6-13(15-11-12)16-7-9-17(4)10-8-16;1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-4-14-5-6-15-11-7-10(9(2)3)8-13-12(11)14;1-11(2,3)8-6-9-10(13-7-8)12-4-5-14-9;1-8(2)10-5-6-12-11(7-10)9(3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-7(2)10-5-8(3)11-9(4)6-10;1-4-10-7-9(8(2)3)5-6-11-10;;;;/h5-6,11-12H,4,7-10H2,1-3H3;5-6,11H,4,7-10H2,1-3H3;5-6,11H,4,7-10H2,1-3H3;6-7,10-11H,3-5,8-9H2,1-2H3;7-9H,4-6H2,1-3H3;6-7H,4-5H2,1-3H3,(H,12,13);5-9H,1-4H3;5-8H,1-4H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4*1H4.

What are the key properties of 7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;1-tert-butyl-3-methylbenzene;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane 1-oxide;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;methane;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-piperidin-1-yl-5-propan-2-ylpyridine?

7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;1-tert-butyl-3-methylbenzene;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane 1-oxide;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;methane;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-piperidin-1-yl-5-propan-2-ylpyridine has a molecular weight of 2027.21 g/mol, XLogP of 29.72, 13 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;1-tert-butyl-3-methylbenzene;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane 1-oxide;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;methane;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-piperidin-1-yl-5-propan-2-ylpyridine is sourced from PubChem (CID 159061745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).