3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-butyl-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-2-methyliminopropanoic acid;2-[tert-butyl(dimethyl)silyl]oxyethanamine;hexane-1,6-diamine

C76H114Br4N14O8Si2 — CID 158214737

IUPAC3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-butyl-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-2-methyliminopropanoic acid;2-[tert-butyl(dimethyl)silyl]oxyethanamine;hexane-1,6-diamine
SMILESC/N=C(/Cc1c[nH]c2ccc(Br)cc12)C(=O)NCCO.C/N=C(/Cc1c[nH]c2ccc(Br)cc12)C(=O)NCCO[Si](C)(C)C(C)(C)C.C/N=C(/Cc1c[nH]c2ccc(Br)cc12)C(=O)O.CC(C)(C)[Si](C)(C)OCCN.CCCCNC(=O)/C(Cc1c[nH]c2ccc(Br)cc12)=N\C.NCCCCCCN
InChIInChI=1S/C20H30BrN3O2Si.C16H20BrN3O.C14H16BrN3O2.C12H11BrN2O2.C8H21NOSi.C6H16N2/c1-20(2,3)27(5,6)26-10-9-23-19(25)18(22-4)11-14-13-24-17-8-7-15(21)12-16(14)17;1-3-4-7-19-16(21)15(18-2)8-11-10-20-14-6-5-12(17)9-13(11)14;1-16-13(14(20)17-4-5-19)6-9-8-18-12-3-2-10(15)7-11(9)12;1-14-11(12(16)17)4-7-6-15-10-3-2-8(13)5-9(7)10;1-8(2,3)11(4,5)10-7-6-9;7-5-3-1-2-4-6-8/h7-8,12-13,24H,9-11H2,1-6H3,(H,23,25);5-6,9-10,20H,3-4,7-8H2,1-2H3,(H,19,21);2-3,7-8,18-19H,4-6H2,1H3,(H,17,20);2-3,5-6,15H,4H2,1H3,(H,16,17);6-7,9H2,1-5H3;1-8H2/b22-18-;18-15-;16-13-;14-11-;;
InChIKeyGCMWPGSMJUKOBQ-FDODYWBISA-N
MW1727.63 g/mol
LogP14.85
Rot. Bonds29

About 3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-butyl-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-2-methyliminopropanoic acid;2-[tert-butyl(dimethyl)silyl]oxyethanamine;hexane-1,6-diamine

3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-butyl-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-2-methyliminopropanoic acid;2-[tert-butyl(dimethyl)silyl]oxyethanamine;hexane-1,6-diamine (PubChem CID 158214737) has the molecular formula C76H114Br4N14O8Si2 and a molecular weight of 1727.63 g/mol. Its IUPAC name is 3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-butyl-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-2-methyliminopropanoic acid;2-[tert-butyl(dimethyl)silyl]oxyethanamine;hexane-1,6-diamine.

Molecular Properties

Compound Name3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-butyl-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-2-methyliminopropanoic acid;2-[tert-butyl(dimethyl)silyl]oxyethanamine;hexane-1,6-diamine
PubChem CID158214737
Molecular FormulaC76H114Br4N14O8Si2
Molecular Weight1727.63 g/mol
Exact Mass1722.52
IUPAC Name3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-butyl-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-2-methyliminopropanoic acid;2-[tert-butyl(dimethyl)silyl]oxyethanamine;hexane-1,6-diamine
SMILESC/N=C(/Cc1c[nH]c2ccc(Br)cc12)C(=O)NCCO.C/N=C(/Cc1c[nH]c2ccc(Br)cc12)C(=O)NCCO[Si](C)(C)C(C)(C)C.C/N=C(/Cc1c[nH]c2ccc(Br)cc12)C(=O)O.CC(C)(C)[Si](C)(C)OCCN.CCCCNC(=O)/C(Cc1c[nH]c2ccc(Br)cc12)=N\C.NCCCCCCN
InChIInChI=1S/C20H30BrN3O2Si.C16H20BrN3O.C14H16BrN3O2.C12H11BrN2O2.C8H21NOSi.C6H16N2/c1-20(2,3)27(5,6)26-10-9-23-19(25)18(22-4)11-14-13-24-17-8-7-15(21)12-16(14)17;1-3-4-7-19-16(21)15(18-2)8-11-10-20-14-6-5-12(17)9-13(11)14;1-16-13(14(20)17-4-5-19)6-9-8-18-12-3-2-10(15)7-11(9)12;1-14-11(12(16)17)4-7-6-15-10-3-2-8(13)5-9(7)10;1-8(2,3)11(4,5)10-7-6-9;7-5-3-1-2-4-6-8/h7-8,12-13,24H,9-11H2,1-6H3,(H,23,25);5-6,9-10,20H,3-4,7-8H2,1-2H3,(H,19,21);2-3,7-8,18-19H,4-6H2,1H3,(H,17,20);2-3,5-6,15H,4H2,1H3,(H,16,17);6-7,9H2,1-5H3;1-8H2/b22-18-;18-15-;16-13-;14-11-;;
InChIKeyGCMWPGSMJUKOBQ-FDODYWBISA-N
XLogP14.85
TPSA353.95 Ų
H-Bond Donors12
H-Bond Acceptors14
Rotatable Bonds29
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001727.63
LogP ≤ 514.85
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-butyl-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-2-methyliminopropanoic acid;2-[tert-butyl(dimethyl)silyl]oxyethanamine;hexane-1,6-diamine with MolForge

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Related Compounds

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CID 172916807

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-butyl-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-2-methyliminopropanoic acid;2-[tert-butyl(dimethyl)silyl]oxyethanamine;hexane-1,6-diamine?
The IUPAC name of 3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-butyl-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-2-methyliminopropanoic acid;2-[tert-butyl(dimethyl)silyl]oxyethanamine;hexane-1,6-diamine (CID 158214737) is 3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-butyl-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-2-methyliminopropanoic acid;2-[tert-butyl(dimethyl)silyl]oxyethanamine;hexane-1,6-diamine.
What is the SMILES notation for 3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-butyl-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-2-methyliminopropanoic acid;2-[tert-butyl(dimethyl)silyl]oxyethanamine;hexane-1,6-diamine?
The canonical SMILES for 3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-butyl-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-2-methyliminopropanoic acid;2-[tert-butyl(dimethyl)silyl]oxyethanamine;hexane-1,6-diamine is C/N=C(/Cc1c[nH]c2ccc(Br)cc12)C(=O)NCCO.C/N=C(/Cc1c[nH]c2ccc(Br)cc12)C(=O)NCCO[Si](C)(C)C(C)(C)C.C/N=C(/Cc1c[nH]c2ccc(Br)cc12)C(=O)O.CC(C)(C)[Si](C)(C)OCCN.CCCCNC(=O)/C(Cc1c[nH]c2ccc(Br)cc12)=N\C.NCCCCCCN.
What is the InChIKey of 3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-butyl-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-2-methyliminopropanoic acid;2-[tert-butyl(dimethyl)silyl]oxyethanamine;hexane-1,6-diamine?
The InChIKey is GCMWPGSMJUKOBQ-FDODYWBISA-N. The full InChI is InChI=1S/C20H30BrN3O2Si.C16H20BrN3O.C14H16BrN3O2.C12H11BrN2O2.C8H21NOSi.C6H16N2/c1-20(2,3)27(5,6)26-10-9-23-19(25)18(22-4)11-14-13-24-17-8-7-15(21)12-16(14)17;1-3-4-7-19-16(21)15(18-2)8-11-10-20-14-6-5-12(17)9-13(11)14;1-16-13(14(20)17-4-5-19)6-9-8-18-12-3-2-10(15)7-11(9)12;1-14-11(12(16)17)4-7-6-15-10-3-2-8(13)5-9(7)10;1-8(2,3)11(4,5)10-7-6-9;7-5-3-1-2-4-6-8/h7-8,12-13,24H,9-11H2,1-6H3,(H,23,25);5-6,9-10,20H,3-4,7-8H2,1-2H3,(H,19,21);2-3,7-8,18-19H,4-6H2,1H3,(H,17,20);2-3,5-6,15H,4H2,1H3,(H,16,17);6-7,9H2,1-5H3;1-8H2/b22-18-;18-15-;16-13-;14-11-;;.
What are the key properties of 3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-butyl-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-2-methyliminopropanoic acid;2-[tert-butyl(dimethyl)silyl]oxyethanamine;hexane-1,6-diamine?
3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-butyl-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-2-methyliminopropanoic acid;2-[tert-butyl(dimethyl)silyl]oxyethanamine;hexane-1,6-diamine has a molecular weight of 1727.63 g/mol, XLogP of 14.85, 29 rotatable bonds, 12 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-butyl-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-2-methyliminopropanoic acid;2-[tert-butyl(dimethyl)silyl]oxyethanamine;hexane-1,6-diamine is sourced from PubChem (CID 158214737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).