5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;methane;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate;methyl 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine

C86H116ClN11O8 — CID 159341066

IUPAC5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;methane;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate;methyl 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
SMILESC.C.CC1(C)CCC(C)(C)c2cc(N)ccc21.CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1cnc(C(=O)O)cn1.CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1cnc(C(=O)OC)cn1.COC(=O)c1cnc(Cc2ccc3c(c2)C(C)(C)CCC3(C)C)cn1.COC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C22H29N3O2.C21H27N3O2.C21H26N2O2.C14H21N.C6H5ClN2O2.2CH4/c1-7-25(19-14-23-18(13-24-19)20(26)27-6)15-8-9-16-17(12-15)22(4,5)11-10-21(16,2)3;1-6-24(18-13-22-17(12-23-18)19(25)26)14-7-8-15-16(11-14)21(4,5)10-9-20(15,2)3;1-20(2)8-9-21(3,4)17-11-14(6-7-16(17)20)10-15-12-23-18(13-22-15)19(24)25-5;1-13(2)7-8-14(3,4)12-9-10(15)5-6-11(12)13;1-11-6(10)4-2-9-5(7)3-8-4;;/h8-9,12-14H,7,10-11H2,1-6H3;7-8,11-13H,6,9-10H2,1-5H3,(H,25,26);6-7,11-13H,8-10H2,1-5H3;5-6,9H,7-8,15H2,1-4H3;2-3H,1H3;2*1H4
InChIKeyLGDLEHDJYMDXLC-UHFFFAOYSA-N
MW1467.40 g/mol
LogP19.46
Rot. Bonds12

About 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;methane;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate;methyl 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine

5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;methane;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate;methyl 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine (PubChem CID 159341066) has the molecular formula C86H116ClN11O8 and a molecular weight of 1467.40 g/mol. Its IUPAC name is 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;methane;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate;methyl 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine.

Molecular Properties

Compound Name5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;methane;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate;methyl 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
PubChem CID159341066
Molecular FormulaC86H116ClN11O8
Molecular Weight1467.40 g/mol
Exact Mass1465.87
IUPAC Name5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;methane;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate;methyl 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
SMILESC.C.CC1(C)CCC(C)(C)c2cc(N)ccc21.CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1cnc(C(=O)O)cn1.CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1cnc(C(=O)OC)cn1.COC(=O)c1cnc(Cc2ccc3c(c2)C(C)(C)CCC3(C)C)cn1.COC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C22H29N3O2.C21H27N3O2.C21H26N2O2.C14H21N.C6H5ClN2O2.2CH4/c1-7-25(19-14-23-18(13-24-19)20(26)27-6)15-8-9-16-17(12-15)22(4,5)11-10-21(16,2)3;1-6-24(18-13-22-17(12-23-18)19(25)26)14-7-8-15-16(11-14)21(4,5)10-9-20(15,2)3;1-20(2)8-9-21(3,4)17-11-14(6-7-16(17)20)10-15-12-23-18(13-22-15)19(24)25-5;1-13(2)7-8-14(3,4)12-9-10(15)5-6-11(12)13;1-11-6(10)4-2-9-5(7)3-8-4;;/h8-9,12-14H,7,10-11H2,1-6H3;7-8,11-13H,6,9-10H2,1-5H3,(H,25,26);6-7,11-13H,8-10H2,1-5H3;5-6,9H,7-8,15H2,1-4H3;2-3H,1H3;2*1H4
InChIKeyLGDLEHDJYMDXLC-UHFFFAOYSA-N
XLogP19.46
TPSA251.82 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001467.40
LogP ≤ 519.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;methane;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate;methyl 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;methane;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate;methyl 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?
The IUPAC name of 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;methane;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate;methyl 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine (CID 159341066) is 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;methane;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate;methyl 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine.
What is the SMILES notation for 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;methane;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate;methyl 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?
The canonical SMILES for 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;methane;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate;methyl 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine is C.C.CC1(C)CCC(C)(C)c2cc(N)ccc21.CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1cnc(C(=O)O)cn1.CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1cnc(C(=O)OC)cn1.COC(=O)c1cnc(Cc2ccc3c(c2)C(C)(C)CCC3(C)C)cn1.COC(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;methane;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate;methyl 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?
The InChIKey is LGDLEHDJYMDXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2.C21H27N3O2.C21H26N2O2.C14H21N.C6H5ClN2O2.2CH4/c1-7-25(19-14-23-18(13-24-19)20(26)27-6)15-8-9-16-17(12-15)22(4,5)11-10-21(16,2)3;1-6-24(18-13-22-17(12-23-18)19(25)26)14-7-8-15-16(11-14)21(4,5)10-9-20(15,2)3;1-20(2)8-9-21(3,4)17-11-14(6-7-16(17)20)10-15-12-23-18(13-22-15)19(24)25-5;1-13(2)7-8-14(3,4)12-9-10(15)5-6-11(12)13;1-11-6(10)4-2-9-5(7)3-8-4;;/h8-9,12-14H,7,10-11H2,1-6H3;7-8,11-13H,6,9-10H2,1-5H3,(H,25,26);6-7,11-13H,8-10H2,1-5H3;5-6,9H,7-8,15H2,1-4H3;2-3H,1H3;2*1H4.
What are the key properties of 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;methane;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate;methyl 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?
5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;methane;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate;methyl 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine has a molecular weight of 1467.40 g/mol, XLogP of 19.46, 12 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;methane;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate;methyl 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine is sourced from PubChem (CID 159341066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).