cyclohexanamine;triethoxy(methyl)silane

C13H31NO3Si — CID 67005421

IUPACcyclohexanamine;triethoxy(methyl)silane
SMILESCCO[Si](C)(OCC)OCC.NC1CCCCC1
InChIInChI=1S/C7H18O3Si.C6H13N/c1-5-8-11(4,9-6-2)10-7-3;7-6-4-2-1-3-5-6/h5-7H2,1-4H3;6H,1-5,7H2
InChIKeyQKVKKDTVONCCGN-UHFFFAOYSA-N
MW277.48 g/mol
LogP2.94
Rot. Bonds6

About cyclohexanamine;triethoxy(methyl)silane

cyclohexanamine;triethoxy(methyl)silane (PubChem CID 67005421) has the molecular formula C13H31NO3Si and a molecular weight of 277.48 g/mol. Its IUPAC name is cyclohexanamine;triethoxy(methyl)silane.

Molecular Properties

Compound Namecyclohexanamine;triethoxy(methyl)silane
PubChem CID67005421
Molecular FormulaC13H31NO3Si
Molecular Weight277.48 g/mol
Exact Mass277.21
IUPAC Namecyclohexanamine;triethoxy(methyl)silane
SMILESCCO[Si](C)(OCC)OCC.NC1CCCCC1
InChIInChI=1S/C7H18O3Si.C6H13N/c1-5-8-11(4,9-6-2)10-7-3;7-6-4-2-1-3-5-6/h5-7H2,1-4H3;6H,1-5,7H2
InChIKeyQKVKKDTVONCCGN-UHFFFAOYSA-N
XLogP2.94
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;triethoxy(methyl)silane?
The IUPAC name of cyclohexanamine;triethoxy(methyl)silane (CID 67005421) is cyclohexanamine;triethoxy(methyl)silane.
What is the SMILES notation for cyclohexanamine;triethoxy(methyl)silane?
The canonical SMILES for cyclohexanamine;triethoxy(methyl)silane is CCO[Si](C)(OCC)OCC.NC1CCCCC1.
What is the InChIKey of cyclohexanamine;triethoxy(methyl)silane?
The InChIKey is QKVKKDTVONCCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18O3Si.C6H13N/c1-5-8-11(4,9-6-2)10-7-3;7-6-4-2-1-3-5-6/h5-7H2,1-4H3;6H,1-5,7H2.
What are the key properties of cyclohexanamine;triethoxy(methyl)silane?
cyclohexanamine;triethoxy(methyl)silane has a molecular weight of 277.48 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;triethoxy(methyl)silane is sourced from PubChem (CID 67005421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).