4-bromo-N,N-bis(trimethylsilyl)naphthalen-1-amine;4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;hydron;bis(4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine)

C76H88Br3N10O3Si2+ — CID 158556164

About 4-bromo-N,N-bis(trimethylsilyl)naphthalen-1-amine;4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;hydron;bis(4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine)

4-bromo-N,N-bis(trimethylsilyl)naphthalen-1-amine;4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;hydron;bis(4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine) (PubChem CID 158556164) has the molecular formula C76H88Br3N10O3Si2+ and a molecular weight of 1485.49 g/mol. Its IUPAC name is 4-bromo-N,N-bis(trimethylsilyl)naphthalen-1-amine;4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;hydron;bis(4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine).

Molecular Properties

• Compound Name: 4-bromo-N,N-bis(trimethylsilyl)naphthalen-1-amine;4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;hydron;bis(4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine)
• PubChem CID: 158556164
• Molecular Formula: C76H88Br3N10O3Si2+
• Molecular Weight: 1485.49 g/mol
• Exact Mass: 1481.41
• IUPAC Name: 4-bromo-N,N-bis(trimethylsilyl)naphthalen-1-amine;4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;hydron;bis(4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine)
• SMILES: Brc1ccc(CN2CCOCC2)nc1.C[Si](C)(C)N(c1ccc(Br)c2ccccc12)[Si](C)(C)C.Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.Nc1ccc(Br)c2ccccc12.[H+]
• InChI: InChI=1S/2C20H21N3O.C16H24BrNSi2.C10H13BrN2O.C10H8BrN/c2*21-20-8-7-17(18-3-1-2-4-19(18)20)15-5-6-16(22-13-15)14-23-9-11-24-12-10-23;1-19(2,3)18(20(4,5)6)16-12-11-15(17)13-9-7-8-10-14(13)16;11-9-1-2-10(12-7-9)8-13-3-5-14-6-4-13;11-9-5-6-10(12)8-4-2-1-3-7(8)9/h2*1-8,13H,9-12,14,21H2;7-12H,1-6H3;1-2,7H,3-6,8H2;1-6H,12H2/p+1
• InChIKey: HQHZXDNWLINMNX-UHFFFAOYSA-O
• XLogP: 17.68
• TPSA: 157.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1485.49
LogP ≤ 5	17.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-bis(trimethylsilyl)naphthalen-1-amine;4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;hydron;bis(4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine)?

The IUPAC name of 4-bromo-N,N-bis(trimethylsilyl)naphthalen-1-amine;4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;hydron;bis(4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine) (CID 158556164) is 4-bromo-N,N-bis(trimethylsilyl)naphthalen-1-amine;4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;hydron;bis(4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine).

What is the SMILES notation for 4-bromo-N,N-bis(trimethylsilyl)naphthalen-1-amine;4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;hydron;bis(4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine)?

The canonical SMILES for 4-bromo-N,N-bis(trimethylsilyl)naphthalen-1-amine;4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;hydron;bis(4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine) is Brc1ccc(CN2CCOCC2)nc1.C[Si](C)(C)N(c1ccc(Br)c2ccccc12)[Si](C)(C)C.Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.Nc1ccc(Br)c2ccccc12.[H+].

What is the InChIKey of 4-bromo-N,N-bis(trimethylsilyl)naphthalen-1-amine;4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;hydron;bis(4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine)?

The InChIKey is HQHZXDNWLINMNX-UHFFFAOYSA-O. The full InChI is InChI=1S/2C20H21N3O.C16H24BrNSi2.C10H13BrN2O.C10H8BrN/c2*21-20-8-7-17(18-3-1-2-4-19(18)20)15-5-6-16(22-13-15)14-23-9-11-24-12-10-23;1-19(2,3)18(20(4,5)6)16-12-11-15(17)13-9-7-8-10-14(13)16;11-9-1-2-10(12-7-9)8-13-3-5-14-6-4-13;11-9-5-6-10(12)8-4-2-1-3-7(8)9/h2*1-8,13H,9-12,14,21H2;7-12H,1-6H3;1-2,7H,3-6,8H2;1-6H,12H2/p+1.

What are the key properties of 4-bromo-N,N-bis(trimethylsilyl)naphthalen-1-amine;4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;hydron;bis(4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine)?

4-bromo-N,N-bis(trimethylsilyl)naphthalen-1-amine;4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;hydron;bis(4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine) has a molecular weight of 1485.49 g/mol, XLogP of 17.68, 11 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-N,N-bis(trimethylsilyl)naphthalen-1-amine;4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;hydron;bis(4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine) is sourced from PubChem (CID 158556164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).