N-[[diethoxy(methyl)silyl]methyl]-N-methylcyclohexanamine

C13H29NO2Si — CID 69307182

IUPACN-[[diethoxy(methyl)silyl]methyl]-N-methylcyclohexanamine
SMILESCCO[Si](C)(CN(C)C1CCCCC1)OCC
InChIInChI=1S/C13H29NO2Si/c1-5-15-17(4,16-6-2)12-14(3)13-10-8-7-9-11-13/h13H,5-12H2,1-4H3
InChIKeyCMIVQHHDEYSJAF-UHFFFAOYSA-N
MW259.47 g/mol
LogP2.94
Rot. Bonds7

About N-[[diethoxy(methyl)silyl]methyl]-N-methylcyclohexanamine

N-[[diethoxy(methyl)silyl]methyl]-N-methylcyclohexanamine (PubChem CID 69307182) has the molecular formula C13H29NO2Si and a molecular weight of 259.47 g/mol. Its IUPAC name is N-[[diethoxy(methyl)silyl]methyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[[diethoxy(methyl)silyl]methyl]-N-methylcyclohexanamine
PubChem CID69307182
Molecular FormulaC13H29NO2Si
Molecular Weight259.47 g/mol
Exact Mass259.20
IUPAC NameN-[[diethoxy(methyl)silyl]methyl]-N-methylcyclohexanamine
SMILESCCO[Si](C)(CN(C)C1CCCCC1)OCC
InChIInChI=1S/C13H29NO2Si/c1-5-15-17(4,16-6-2)12-14(3)13-10-8-7-9-11-13/h13H,5-12H2,1-4H3
InChIKeyCMIVQHHDEYSJAF-UHFFFAOYSA-N
XLogP2.94
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.47
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-[[diethoxy(methyl)silyl]methyl]-N-methylcyclohexanamine?
The IUPAC name of N-[[diethoxy(methyl)silyl]methyl]-N-methylcyclohexanamine (CID 69307182) is N-[[diethoxy(methyl)silyl]methyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[[diethoxy(methyl)silyl]methyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[[diethoxy(methyl)silyl]methyl]-N-methylcyclohexanamine is CCO[Si](C)(CN(C)C1CCCCC1)OCC.
What is the InChIKey of N-[[diethoxy(methyl)silyl]methyl]-N-methylcyclohexanamine?
The InChIKey is CMIVQHHDEYSJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2Si/c1-5-15-17(4,16-6-2)12-14(3)13-10-8-7-9-11-13/h13H,5-12H2,1-4H3.
What are the key properties of N-[[diethoxy(methyl)silyl]methyl]-N-methylcyclohexanamine?
N-[[diethoxy(methyl)silyl]methyl]-N-methylcyclohexanamine has a molecular weight of 259.47 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[diethoxy(methyl)silyl]methyl]-N-methylcyclohexanamine is sourced from PubChem (CID 69307182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).