1-N,3-N,5-N-tris[2-[[tert-butyl(dimethyl)silyl]amino]phenyl]cyclohexane-1,3,5-triamine

C42H72N6Si3 — CID 139116116

IUPAC1-N,3-N,5-N-tris[2-[[tert-butyl(dimethyl)silyl]amino]phenyl]cyclohexane-1,3,5-triamine
SMILESCC(C)(C)[Si](C)(C)Nc1ccccc1NC1CC(Nc2ccccc2N[Si](C)(C)C(C)(C)C)CC(Nc2ccccc2N[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C42H72N6Si3/c1-40(2,3)49(10,11)46-37-25-19-16-22-34(37)43-31-28-32(44-35-23-17-20-26-38(35)47-50(12,13)41(4,5)6)30-33(29-31)45-36-24-18-21-27-39(36)48-51(14,15)42(7,8)9/h16-27,31-33,43-48H,28-30H2,1-15H3
InChIKeyNAUJRMXHVJRXRV-UHFFFAOYSA-N
MW745.34 g/mol
LogP12.86
Rot. Bonds12

About 1-N,3-N,5-N-tris[2-[[tert-butyl(dimethyl)silyl]amino]phenyl]cyclohexane-1,3,5-triamine

1-N,3-N,5-N-tris[2-[[tert-butyl(dimethyl)silyl]amino]phenyl]cyclohexane-1,3,5-triamine (PubChem CID 139116116) has the molecular formula C42H72N6Si3 and a molecular weight of 745.34 g/mol. Its IUPAC name is 1-N,3-N,5-N-tris[2-[[tert-butyl(dimethyl)silyl]amino]phenyl]cyclohexane-1,3,5-triamine.

Molecular Properties

Compound Name1-N,3-N,5-N-tris[2-[[tert-butyl(dimethyl)silyl]amino]phenyl]cyclohexane-1,3,5-triamine
PubChem CID139116116
Molecular FormulaC42H72N6Si3
Molecular Weight745.34 g/mol
Exact Mass744.51
IUPAC Name1-N,3-N,5-N-tris[2-[[tert-butyl(dimethyl)silyl]amino]phenyl]cyclohexane-1,3,5-triamine
SMILESCC(C)(C)[Si](C)(C)Nc1ccccc1NC1CC(Nc2ccccc2N[Si](C)(C)C(C)(C)C)CC(Nc2ccccc2N[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C42H72N6Si3/c1-40(2,3)49(10,11)46-37-25-19-16-22-34(37)43-31-28-32(44-35-23-17-20-26-38(35)47-50(12,13)41(4,5)6)30-33(29-31)45-36-24-18-21-27-39(36)48-51(14,15)42(7,8)9/h16-27,31-33,43-48H,28-30H2,1-15H3
InChIKeyNAUJRMXHVJRXRV-UHFFFAOYSA-N
XLogP12.86
TPSA72.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500745.34
LogP ≤ 512.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-N,3-N,5-N-tris[2-[[tert-butyl(dimethyl)silyl]amino]phenyl]cyclohexane-1,3,5-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-N-tris[2-[[tert-butyl(dimethyl)silyl]amino]phenyl]cyclohexane-1,3,5-triamine?
The IUPAC name of 1-N,3-N,5-N-tris[2-[[tert-butyl(dimethyl)silyl]amino]phenyl]cyclohexane-1,3,5-triamine (CID 139116116) is 1-N,3-N,5-N-tris[2-[[tert-butyl(dimethyl)silyl]amino]phenyl]cyclohexane-1,3,5-triamine.
What is the SMILES notation for 1-N,3-N,5-N-tris[2-[[tert-butyl(dimethyl)silyl]amino]phenyl]cyclohexane-1,3,5-triamine?
The canonical SMILES for 1-N,3-N,5-N-tris[2-[[tert-butyl(dimethyl)silyl]amino]phenyl]cyclohexane-1,3,5-triamine is CC(C)(C)[Si](C)(C)Nc1ccccc1NC1CC(Nc2ccccc2N[Si](C)(C)C(C)(C)C)CC(Nc2ccccc2N[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of 1-N,3-N,5-N-tris[2-[[tert-butyl(dimethyl)silyl]amino]phenyl]cyclohexane-1,3,5-triamine?
The InChIKey is NAUJRMXHVJRXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H72N6Si3/c1-40(2,3)49(10,11)46-37-25-19-16-22-34(37)43-31-28-32(44-35-23-17-20-26-38(35)47-50(12,13)41(4,5)6)30-33(29-31)45-36-24-18-21-27-39(36)48-51(14,15)42(7,8)9/h16-27,31-33,43-48H,28-30H2,1-15H3.
What are the key properties of 1-N,3-N,5-N-tris[2-[[tert-butyl(dimethyl)silyl]amino]phenyl]cyclohexane-1,3,5-triamine?
1-N,3-N,5-N-tris[2-[[tert-butyl(dimethyl)silyl]amino]phenyl]cyclohexane-1,3,5-triamine has a molecular weight of 745.34 g/mol, XLogP of 12.86, 12 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,5-N-tris[2-[[tert-butyl(dimethyl)silyl]amino]phenyl]cyclohexane-1,3,5-triamine is sourced from PubChem (CID 139116116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).