N-(3-trimethoxysilylpropyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine

C21H54N2O3Si4 — CID 87615570

IUPACN-(3-trimethoxysilylpropyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine
SMILESCO[Si](CCCN(CCCCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)(OC)OC
InChIInChI=1S/C21H54N2O3Si4/c1-24-30(25-2,26-3)21-17-19-22(27(4,5)6)18-15-13-14-16-20-23(28(7,8)9)29(10,11)12/h13-21H2,1-12H3
InChIKeyCKRGBMRPTWEYPS-UHFFFAOYSA-N
MW495.02 g/mol
LogP5.92
Rot. Bonds17

About N-(3-trimethoxysilylpropyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine

N-(3-trimethoxysilylpropyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine (PubChem CID 87615570) has the molecular formula C21H54N2O3Si4 and a molecular weight of 495.02 g/mol. Its IUPAC name is N-(3-trimethoxysilylpropyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN-(3-trimethoxysilylpropyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine
PubChem CID87615570
Molecular FormulaC21H54N2O3Si4
Molecular Weight495.02 g/mol
Exact Mass494.32
IUPAC NameN-(3-trimethoxysilylpropyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine
SMILESCO[Si](CCCN(CCCCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)(OC)OC
InChIInChI=1S/C21H54N2O3Si4/c1-24-30(25-2,26-3)21-17-19-22(27(4,5)6)18-15-13-14-16-20-23(28(7,8)9)29(10,11)12/h13-21H2,1-12H3
InChIKeyCKRGBMRPTWEYPS-UHFFFAOYSA-N
XLogP5.92
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.02
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-trimethoxysilylpropyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine?
The IUPAC name of N-(3-trimethoxysilylpropyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine (CID 87615570) is N-(3-trimethoxysilylpropyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine.
What is the SMILES notation for N-(3-trimethoxysilylpropyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine?
The canonical SMILES for N-(3-trimethoxysilylpropyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine is CO[Si](CCCN(CCCCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)(OC)OC.
What is the InChIKey of N-(3-trimethoxysilylpropyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine?
The InChIKey is CKRGBMRPTWEYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H54N2O3Si4/c1-24-30(25-2,26-3)21-17-19-22(27(4,5)6)18-15-13-14-16-20-23(28(7,8)9)29(10,11)12/h13-21H2,1-12H3.
What are the key properties of N-(3-trimethoxysilylpropyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine?
N-(3-trimethoxysilylpropyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine has a molecular weight of 495.02 g/mol, XLogP of 5.92, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-trimethoxysilylpropyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine is sourced from PubChem (CID 87615570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).