1-N,4-N-bis(trimethylsilyloxy)cyclohexa-1,3-diene-1,4-diamine

C12H26N2O2Si2 — CID 123414674

IUPAC1-N,4-N-bis(trimethylsilyloxy)cyclohexa-1,3-diene-1,4-diamine
SMILESC[Si](C)(C)ONC1=CC=C(NO[Si](C)(C)C)CC1
InChIInChI=1S/C12H26N2O2Si2/c1-17(2,3)15-13-11-7-9-12(10-8-11)14-16-18(4,5)6/h7,9,13-14H,8,10H2,1-6H3
InChIKeyWBQJXBSPBWLMBI-UHFFFAOYSA-N
MW286.52 g/mol
LogP3.26
Rot. Bonds6

About 1-N,4-N-bis(trimethylsilyloxy)cyclohexa-1,3-diene-1,4-diamine

1-N,4-N-bis(trimethylsilyloxy)cyclohexa-1,3-diene-1,4-diamine (PubChem CID 123414674) has the molecular formula C12H26N2O2Si2 and a molecular weight of 286.52 g/mol. Its IUPAC name is 1-N,4-N-bis(trimethylsilyloxy)cyclohexa-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(trimethylsilyloxy)cyclohexa-1,3-diene-1,4-diamine
PubChem CID123414674
Molecular FormulaC12H26N2O2Si2
Molecular Weight286.52 g/mol
Exact Mass286.15
IUPAC Name1-N,4-N-bis(trimethylsilyloxy)cyclohexa-1,3-diene-1,4-diamine
SMILESC[Si](C)(C)ONC1=CC=C(NO[Si](C)(C)C)CC1
InChIInChI=1S/C12H26N2O2Si2/c1-17(2,3)15-13-11-7-9-12(10-8-11)14-16-18(4,5)6/h7,9,13-14H,8,10H2,1-6H3
InChIKeyWBQJXBSPBWLMBI-UHFFFAOYSA-N
XLogP3.26
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.52
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(trimethylsilyloxy)cyclohexa-1,3-diene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(trimethylsilyloxy)cyclohexa-1,3-diene-1,4-diamine (CID 123414674) is 1-N,4-N-bis(trimethylsilyloxy)cyclohexa-1,3-diene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(trimethylsilyloxy)cyclohexa-1,3-diene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(trimethylsilyloxy)cyclohexa-1,3-diene-1,4-diamine is C[Si](C)(C)ONC1=CC=C(NO[Si](C)(C)C)CC1.
What is the InChIKey of 1-N,4-N-bis(trimethylsilyloxy)cyclohexa-1,3-diene-1,4-diamine?
The InChIKey is WBQJXBSPBWLMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2Si2/c1-17(2,3)15-13-11-7-9-12(10-8-11)14-16-18(4,5)6/h7,9,13-14H,8,10H2,1-6H3.
What are the key properties of 1-N,4-N-bis(trimethylsilyloxy)cyclohexa-1,3-diene-1,4-diamine?
1-N,4-N-bis(trimethylsilyloxy)cyclohexa-1,3-diene-1,4-diamine has a molecular weight of 286.52 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(trimethylsilyloxy)cyclohexa-1,3-diene-1,4-diamine is sourced from PubChem (CID 123414674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).