N-[bis(trimethylsilyl)methyl]-N-cyclohexyl-2-diazoacetamide

C15H31N3OSi2 — CID 71361556

IUPACN-[bis(trimethylsilyl)methyl]-N-cyclohexyl-2-diazoacetamide
SMILESC[Si](C)(C)C(N(C(=O)C=[N+]=[N-])C1CCCCC1)[Si](C)(C)C
InChIInChI=1S/C15H31N3OSi2/c1-20(2,3)15(21(4,5)6)18(14(19)12-17-16)13-10-8-7-9-11-13/h12-13,15H,7-11H2,1-6H3
InChIKeyYONNTXOPOQUHBB-UHFFFAOYSA-N
MW325.61 g/mol
LogP3.57
Rot. Bonds5

About N-[bis(trimethylsilyl)methyl]-N-cyclohexyl-2-diazoacetamide

N-[bis(trimethylsilyl)methyl]-N-cyclohexyl-2-diazoacetamide (PubChem CID 71361556) has the molecular formula C15H31N3OSi2 and a molecular weight of 325.61 g/mol. Its IUPAC name is N-[bis(trimethylsilyl)methyl]-N-cyclohexyl-2-diazoacetamide.

Molecular Properties

Compound NameN-[bis(trimethylsilyl)methyl]-N-cyclohexyl-2-diazoacetamide
PubChem CID71361556
Molecular FormulaC15H31N3OSi2
Molecular Weight325.61 g/mol
Exact Mass325.20
IUPAC NameN-[bis(trimethylsilyl)methyl]-N-cyclohexyl-2-diazoacetamide
SMILESC[Si](C)(C)C(N(C(=O)C=[N+]=[N-])C1CCCCC1)[Si](C)(C)C
InChIInChI=1S/C15H31N3OSi2/c1-20(2,3)15(21(4,5)6)18(14(19)12-17-16)13-10-8-7-9-11-13/h12-13,15H,7-11H2,1-6H3
InChIKeyYONNTXOPOQUHBB-UHFFFAOYSA-N
XLogP3.57
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.61
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[bis(trimethylsilyl)methyl]-N-cyclohexyl-2-diazoacetamide?
The IUPAC name of N-[bis(trimethylsilyl)methyl]-N-cyclohexyl-2-diazoacetamide (CID 71361556) is N-[bis(trimethylsilyl)methyl]-N-cyclohexyl-2-diazoacetamide.
What is the SMILES notation for N-[bis(trimethylsilyl)methyl]-N-cyclohexyl-2-diazoacetamide?
The canonical SMILES for N-[bis(trimethylsilyl)methyl]-N-cyclohexyl-2-diazoacetamide is C[Si](C)(C)C(N(C(=O)C=[N+]=[N-])C1CCCCC1)[Si](C)(C)C.
What is the InChIKey of N-[bis(trimethylsilyl)methyl]-N-cyclohexyl-2-diazoacetamide?
The InChIKey is YONNTXOPOQUHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3OSi2/c1-20(2,3)15(21(4,5)6)18(14(19)12-17-16)13-10-8-7-9-11-13/h12-13,15H,7-11H2,1-6H3.
What are the key properties of N-[bis(trimethylsilyl)methyl]-N-cyclohexyl-2-diazoacetamide?
N-[bis(trimethylsilyl)methyl]-N-cyclohexyl-2-diazoacetamide has a molecular weight of 325.61 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(trimethylsilyl)methyl]-N-cyclohexyl-2-diazoacetamide is sourced from PubChem (CID 71361556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).