6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;(5R)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;(5S)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridin-2-amine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-1,3-benzoxazol-4-amine

C162H238N20O18 — CID 163992589

About 6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;(5R)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;(5S)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridin-2-amine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-1,3-benzoxazol-4-amine

6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;(5R)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;(5S)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridin-2-amine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-1,3-benzoxazol-4-amine (PubChem CID 163992589) has the molecular formula C162H238N20O18 and a molecular weight of 2753.81 g/mol. Its IUPAC name is 6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;(5R)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;(5S)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridin-2-amine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-1,3-benzoxazol-4-amine.

Molecular Properties

• Compound Name: 6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;(5R)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;(5S)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridin-2-amine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-1,3-benzoxazol-4-amine
• PubChem CID: 163992589
• Molecular Formula: C162H238N20O18
• Molecular Weight: 2753.81 g/mol
• Exact Mass: 2751.83
• IUPAC Name: 6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;(5R)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;(5S)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridin-2-amine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-1,3-benzoxazol-4-amine
• SMILES: CC(C)Cc1ccc2c(n1)CCO2.CC(C)Cc1ccc2c(n1)OCCO2.CC(C)Cc1cccc(C2CCCOC2)n1.CC(C)Cc1cccc(N2CCOC3(CCOC3)C2)n1.CC(C)Cc1cccc(N2CCO[C@@]3(CCOC3)C2)n1.CC(C)Cc1cccc(N2CCO[C@]3(CCOC3)C2)n1.CC(C)Cc1cccc([C@@H]2CCCOC2)n1.CC(C)Cc1cccc([C@H]2CCCOC2)n1.CC(C)Nc1cccc(N2CCC3(CCCO3)CC2)n1.CC(C)Nc1cccc2ocnc12.CC(C)Nc1cccnc1OC1CCOCC1.CC(C)Nc1cccnc1OC1COC1
• InChI: InChI=1S/C16H25N3O.3C16H24N2O2.3C14H21NO.C13H20N2O2.C11H16N2O2.C11H15NO2.C11H15NO.C10H12N2O/c1-13(2)17-14-5-3-6-15(18-14)19-10-8-16(9-11-19)7-4-12-20-16;3*1-13(2)10-14-4-3-5-15(17-14)18-7-9-20-16(11-18)6-8-19-12-16;3*1-11(2)9-13-6-3-7-14(15-13)12-5-4-8-16-10-12;1-10(2)15-12-4-3-7-14-13(12)17-11-5-8-16-9-6-11;1-8(2)13-10-4-3-5-12-11(10)15-9-6-14-7-9;1-8(2)7-9-3-4-10-11(12-9)14-6-5-13-10;1-8(2)7-9-3-4-11-10(12-9)5-6-13-11;1-7(2)12-8-4-3-5-9-10(8)11-6-13-9/h3,5-6,13H,4,7-12H2,1-2H3,(H,17,18);3*3-5,13H,6-12H2,1-2H3;3*3,6-7,11-12H,4-5,8-10H2,1-2H3;3-4,7,10-11,15H,5-6,8-9H2,1-2H3;3-5,8-9,13H,6-7H2,1-2H3;3-4,8H,5-7H2,1-2H3;3-4,8H,5-7H2,1-2H3;3-7,12H,1-2H3/t;2*16-;;2*12-;;;;;;/m.10.10....../s1
• InChIKey: UBXYBRFZWNIANG-URNBVJMQSA-N
• XLogP: 30.45
• TPSA: 385.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 38
• Rotatable Bonds: 35
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2753.81
LogP ≤ 5	30.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;(5R)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;(5S)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridin-2-amine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-1,3-benzoxazol-4-amine?

The IUPAC name of 6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;(5R)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;(5S)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridin-2-amine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-1,3-benzoxazol-4-amine (CID 163992589) is 6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;(5R)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;(5S)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridin-2-amine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-1,3-benzoxazol-4-amine.

What is the SMILES notation for 6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;(5R)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;(5S)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridin-2-amine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-1,3-benzoxazol-4-amine?

The canonical SMILES for 6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;(5R)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;(5S)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridin-2-amine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-1,3-benzoxazol-4-amine is CC(C)Cc1ccc2c(n1)CCO2.CC(C)Cc1ccc2c(n1)OCCO2.CC(C)Cc1cccc(C2CCCOC2)n1.CC(C)Cc1cccc(N2CCOC3(CCOC3)C2)n1.CC(C)Cc1cccc(N2CCO[C@@]3(CCOC3)C2)n1.CC(C)Cc1cccc(N2CCO[C@]3(CCOC3)C2)n1.CC(C)Cc1cccc([C@@H]2CCCOC2)n1.CC(C)Cc1cccc([C@H]2CCCOC2)n1.CC(C)Nc1cccc(N2CCC3(CCCO3)CC2)n1.CC(C)Nc1cccc2ocnc12.CC(C)Nc1cccnc1OC1CCOCC1.CC(C)Nc1cccnc1OC1COC1.

What is the InChIKey of 6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;(5R)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;(5S)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridin-2-amine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-1,3-benzoxazol-4-amine?

The InChIKey is UBXYBRFZWNIANG-URNBVJMQSA-N. The full InChI is InChI=1S/C16H25N3O.3C16H24N2O2.3C14H21NO.C13H20N2O2.C11H16N2O2.C11H15NO2.C11H15NO.C10H12N2O/c1-13(2)17-14-5-3-6-15(18-14)19-10-8-16(9-11-19)7-4-12-20-16;3*1-13(2)10-14-4-3-5-15(17-14)18-7-9-20-16(11-18)6-8-19-12-16;3*1-11(2)9-13-6-3-7-14(15-13)12-5-4-8-16-10-12;1-10(2)15-12-4-3-7-14-13(12)17-11-5-8-16-9-6-11;1-8(2)13-10-4-3-5-12-11(10)15-9-6-14-7-9;1-8(2)7-9-3-4-10-11(12-9)14-6-5-13-10;1-8(2)7-9-3-4-11-10(12-9)5-6-13-11;1-7(2)12-8-4-3-5-9-10(8)11-6-13-9/h3,5-6,13H,4,7-12H2,1-2H3,(H,17,18);3*3-5,13H,6-12H2,1-2H3;3*3,6-7,11-12H,4-5,8-10H2,1-2H3;3-4,7,10-11,15H,5-6,8-9H2,1-2H3;3-5,8-9,13H,6-7H2,1-2H3;3-4,8H,5-7H2,1-2H3;3-4,8H,5-7H2,1-2H3;3-7,12H,1-2H3/t;2*16-;;2*12-;;;;;;/m.10.10....../s1.

What are the key properties of 6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;(5R)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;(5S)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridin-2-amine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-1,3-benzoxazol-4-amine?

6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;(5R)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;(5S)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridin-2-amine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-1,3-benzoxazol-4-amine has a molecular weight of 2753.81 g/mol, XLogP of 30.45, 35 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;(5R)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;(5S)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridin-2-amine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-1,3-benzoxazol-4-amine is sourced from PubChem (CID 163992589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).