5-trimethylsilyl-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-26-amine

C27H23N3Si — CID 174083627

About 5-trimethylsilyl-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-26-amine

5-trimethylsilyl-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-26-amine (PubChem CID 174083627) has the molecular formula C27H23N3Si and a molecular weight of 417.59 g/mol. Its IUPAC name is 5-trimethylsilyl-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-26-amine.

Molecular Properties

• Compound Name: 5-trimethylsilyl-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-26-amine
• PubChem CID: 174083627
• Molecular Formula: C27H23N3Si
• Molecular Weight: 417.59 g/mol
• Exact Mass: 417.17
• IUPAC Name: 5-trimethylsilyl-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-26-amine
• SMILES: C[Si](C)(C)c1ccc2c3cccc4c5ccccc5n(c5cccc6c5c2c1n6N)c34
• InChI: InChI=1S/C27H23N3Si/c1-31(2,3)23-15-14-17-19-10-6-9-18-16-8-4-5-11-20(16)29(26(18)19)21-12-7-13-22-25(21)24(17)27(23)30(22)28/h4-15H,28H2,1-3H3
• InChIKey: KGMQKTJMUJYPGF-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 35.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.59
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-trimethylsilyl-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-26-amine?

The IUPAC name of 5-trimethylsilyl-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-26-amine (CID 174083627) is 5-trimethylsilyl-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-26-amine.

What is the SMILES notation for 5-trimethylsilyl-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-26-amine?

The canonical SMILES for 5-trimethylsilyl-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-26-amine is C[Si](C)(C)c1ccc2c3cccc4c5ccccc5n(c5cccc6c5c2c1n6N)c34.

What is the InChIKey of 5-trimethylsilyl-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-26-amine?

The InChIKey is KGMQKTJMUJYPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3Si/c1-31(2,3)23-15-14-17-19-10-6-9-18-16-8-4-5-11-20(16)29(26(18)19)21-12-7-13-22-25(21)24(17)27(23)30(22)28/h4-15H,28H2,1-3H3.

What are the key properties of 5-trimethylsilyl-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-26-amine?

5-trimethylsilyl-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-26-amine has a molecular weight of 417.59 g/mol, XLogP of 6.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-trimethylsilyl-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-26-amine is sourced from PubChem (CID 174083627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).