6-tert-butyl-1,2-benzoxazole;5-tert-butyl-3-chloropyridin-2-amine;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-N-propylpyrimidin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine

C141H211ClN26O3 — CID 159095007

IUPAC6-tert-butyl-1,2-benzoxazole;5-tert-butyl-3-chloropyridin-2-amine;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-N-propylpyrimidin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine
SMILESCC(C)(C)c1ccc2c(N)n[nH]c2c1.CC(C)(C)c1ccc2cnoc2c1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnc(N)c(Cl)c1.CC(C)(C)c1cnc2c(c1)C=CC2.CCCNc1nccc(C(C)(C)C)n1.CNc1ncc(C(C)(C)C)cc1OC.COc1cc(N)ncc1C(C)(C)C.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)cnc1N.Cc1nc(C(C)(C)C)cnc1N.Cc1ncc(C(C)(C)C)cc1N.Cc1nccc(C(C)(C)C)n1
InChIInChI=1S/C12H15N.C11H15N3.C11H19N3.C11H18N2O.C11H13NO.C10H16N2O.2C10H16N2.C10H15N.C9H13ClN2.C9H15N3.C9H14N2.2C9H13N/c1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-11(2,3)7-4-5-8-9(6-7)13-14-10(8)12;1-5-7-12-10-13-8-6-9(14-10)11(2,3)4;1-11(2,3)8-6-9(14-5)10(12-4)13-7-8;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-10(2,3)7-6-12-9(11)5-8(7)13-4;1-7-9(11)5-8(6-12-7)10(2,3)4;1-7-5-8(10(2,3)4)6-12-9(7)11;1-8-7-9(5-6-11-8)10(2,3)4;1-9(2,3)6-4-7(10)8(11)12-5-6;1-6-8(10)11-5-7(12-6)9(2,3)4;1-7-10-6-5-8(11-7)9(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-6-4-5-7-10-8/h4-5,7-8H,6H2,1-3H3;4-6H,1-3H3,(H3,12,13,14);6,8H,5,7H2,1-4H3,(H,12,13,14);6-7H,1-5H3,(H,12,13);4-7H,1-3H3;5-6H,1-4H3,(H2,11,12);5-6H,11H2,1-4H3;5-6H,1-4H3,(H2,11,12);5-7H,1-4H3;4-5H,1-3H3,(H2,11,12);5H,1-4H3,(H2,10,11);5-6H,1-4H3;2*4-7H,1-3H3
InChIKeyKCOBGTUWKTZIHG-UHFFFAOYSA-N
MW2353.87 g/mol
LogP33.86
Rot. Bonds6

About 6-tert-butyl-1,2-benzoxazole;5-tert-butyl-3-chloropyridin-2-amine;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-N-propylpyrimidin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine

6-tert-butyl-1,2-benzoxazole;5-tert-butyl-3-chloropyridin-2-amine;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-N-propylpyrimidin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine (PubChem CID 159095007) has the molecular formula C141H211ClN26O3 and a molecular weight of 2353.87 g/mol. Its IUPAC name is 6-tert-butyl-1,2-benzoxazole;5-tert-butyl-3-chloropyridin-2-amine;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-N-propylpyrimidin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine.

Molecular Properties

Compound Name6-tert-butyl-1,2-benzoxazole;5-tert-butyl-3-chloropyridin-2-amine;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-N-propylpyrimidin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine
PubChem CID159095007
Molecular FormulaC141H211ClN26O3
Molecular Weight2353.87 g/mol
Exact Mass2351.68
IUPAC Name6-tert-butyl-1,2-benzoxazole;5-tert-butyl-3-chloropyridin-2-amine;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-N-propylpyrimidin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine
SMILESCC(C)(C)c1ccc2c(N)n[nH]c2c1.CC(C)(C)c1ccc2cnoc2c1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnc(N)c(Cl)c1.CC(C)(C)c1cnc2c(c1)C=CC2.CCCNc1nccc(C(C)(C)C)n1.CNc1ncc(C(C)(C)C)cc1OC.COc1cc(N)ncc1C(C)(C)C.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)cnc1N.Cc1nc(C(C)(C)C)cnc1N.Cc1ncc(C(C)(C)C)cc1N.Cc1nccc(C(C)(C)C)n1
InChIInChI=1S/C12H15N.C11H15N3.C11H19N3.C11H18N2O.C11H13NO.C10H16N2O.2C10H16N2.C10H15N.C9H13ClN2.C9H15N3.C9H14N2.2C9H13N/c1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-11(2,3)7-4-5-8-9(6-7)13-14-10(8)12;1-5-7-12-10-13-8-6-9(14-10)11(2,3)4;1-11(2,3)8-6-9(14-5)10(12-4)13-7-8;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-10(2,3)7-6-12-9(11)5-8(7)13-4;1-7-9(11)5-8(6-12-7)10(2,3)4;1-7-5-8(10(2,3)4)6-12-9(7)11;1-8-7-9(5-6-11-8)10(2,3)4;1-9(2,3)6-4-7(10)8(11)12-5-6;1-6-8(10)11-5-7(12-6)9(2,3)4;1-7-10-6-5-8(11-7)9(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-6-4-5-7-10-8/h4-5,7-8H,6H2,1-3H3;4-6H,1-3H3,(H3,12,13,14);6,8H,5,7H2,1-4H3,(H,12,13,14);6-7H,1-5H3,(H,12,13);4-7H,1-3H3;5-6H,1-4H3,(H2,11,12);5-6H,11H2,1-4H3;5-6H,1-4H3,(H2,11,12);5-7H,1-4H3;4-5H,1-3H3,(H2,11,12);5H,1-4H3,(H2,10,11);5-6H,1-4H3;2*4-7H,1-3H3
InChIKeyKCOBGTUWKTZIHG-UHFFFAOYSA-N
XLogP33.86
TPSA446.70 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds6
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002353.87
LogP ≤ 533.86
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Analyze 6-tert-butyl-1,2-benzoxazole;5-tert-butyl-3-chloropyridin-2-amine;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-N-propylpyrimidin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,2-benzoxazole;5-tert-butyl-3-chloropyridin-2-amine;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-N-propylpyrimidin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine?
The IUPAC name of 6-tert-butyl-1,2-benzoxazole;5-tert-butyl-3-chloropyridin-2-amine;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-N-propylpyrimidin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine (CID 159095007) is 6-tert-butyl-1,2-benzoxazole;5-tert-butyl-3-chloropyridin-2-amine;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-N-propylpyrimidin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine.
What is the SMILES notation for 6-tert-butyl-1,2-benzoxazole;5-tert-butyl-3-chloropyridin-2-amine;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-N-propylpyrimidin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine?
The canonical SMILES for 6-tert-butyl-1,2-benzoxazole;5-tert-butyl-3-chloropyridin-2-amine;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-N-propylpyrimidin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine is CC(C)(C)c1ccc2c(N)n[nH]c2c1.CC(C)(C)c1ccc2cnoc2c1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnc(N)c(Cl)c1.CC(C)(C)c1cnc2c(c1)C=CC2.CCCNc1nccc(C(C)(C)C)n1.CNc1ncc(C(C)(C)C)cc1OC.COc1cc(N)ncc1C(C)(C)C.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)cnc1N.Cc1nc(C(C)(C)C)cnc1N.Cc1ncc(C(C)(C)C)cc1N.Cc1nccc(C(C)(C)C)n1.
What is the InChIKey of 6-tert-butyl-1,2-benzoxazole;5-tert-butyl-3-chloropyridin-2-amine;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-N-propylpyrimidin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine?
The InChIKey is KCOBGTUWKTZIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C11H15N3.C11H19N3.C11H18N2O.C11H13NO.C10H16N2O.2C10H16N2.C10H15N.C9H13ClN2.C9H15N3.C9H14N2.2C9H13N/c1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-11(2,3)7-4-5-8-9(6-7)13-14-10(8)12;1-5-7-12-10-13-8-6-9(14-10)11(2,3)4;1-11(2,3)8-6-9(14-5)10(12-4)13-7-8;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-10(2,3)7-6-12-9(11)5-8(7)13-4;1-7-9(11)5-8(6-12-7)10(2,3)4;1-7-5-8(10(2,3)4)6-12-9(7)11;1-8-7-9(5-6-11-8)10(2,3)4;1-9(2,3)6-4-7(10)8(11)12-5-6;1-6-8(10)11-5-7(12-6)9(2,3)4;1-7-10-6-5-8(11-7)9(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-6-4-5-7-10-8/h4-5,7-8H,6H2,1-3H3;4-6H,1-3H3,(H3,12,13,14);6,8H,5,7H2,1-4H3,(H,12,13,14);6-7H,1-5H3,(H,12,13);4-7H,1-3H3;5-6H,1-4H3,(H2,11,12);5-6H,11H2,1-4H3;5-6H,1-4H3,(H2,11,12);5-7H,1-4H3;4-5H,1-3H3,(H2,11,12);5H,1-4H3,(H2,10,11);5-6H,1-4H3;2*4-7H,1-3H3.
What are the key properties of 6-tert-butyl-1,2-benzoxazole;5-tert-butyl-3-chloropyridin-2-amine;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-N-propylpyrimidin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine?
6-tert-butyl-1,2-benzoxazole;5-tert-butyl-3-chloropyridin-2-amine;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-N-propylpyrimidin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine has a molecular weight of 2353.87 g/mol, XLogP of 33.86, 6 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,2-benzoxazole;5-tert-butyl-3-chloropyridin-2-amine;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-N-propylpyrimidin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine is sourced from PubChem (CID 159095007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).