N,N-bis(triethoxysilylmethyl)cyclohexanamine

C20H45NO6Si2 — CID 23154679

IUPACN,N-bis(triethoxysilylmethyl)cyclohexanamine
SMILESCCO[Si](CN(C[Si](OCC)(OCC)OCC)C1CCCCC1)(OCC)OCC
InChIInChI=1S/C20H45NO6Si2/c1-7-22-28(23-8-2,24-9-3)18-21(20-16-14-13-15-17-20)19-29(25-10-4,26-11-5)27-12-6/h20H,7-19H2,1-6H3
InChIKeySCSFDJZWDRBMHD-UHFFFAOYSA-N
MW451.75 g/mol
LogP3.80
Rot. Bonds17

About N,N-bis(triethoxysilylmethyl)cyclohexanamine

N,N-bis(triethoxysilylmethyl)cyclohexanamine (PubChem CID 23154679) has the molecular formula C20H45NO6Si2 and a molecular weight of 451.75 g/mol. Its IUPAC name is N,N-bis(triethoxysilylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN,N-bis(triethoxysilylmethyl)cyclohexanamine
PubChem CID23154679
Molecular FormulaC20H45NO6Si2
Molecular Weight451.75 g/mol
Exact Mass451.28
IUPAC NameN,N-bis(triethoxysilylmethyl)cyclohexanamine
SMILESCCO[Si](CN(C[Si](OCC)(OCC)OCC)C1CCCCC1)(OCC)OCC
InChIInChI=1S/C20H45NO6Si2/c1-7-22-28(23-8-2,24-9-3)18-21(20-16-14-13-15-17-20)19-29(25-10-4,26-11-5)27-12-6/h20H,7-19H2,1-6H3
InChIKeySCSFDJZWDRBMHD-UHFFFAOYSA-N
XLogP3.80
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.75
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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,N-bis(triethoxysilylmethyl)cyclohexanamine?
The IUPAC name of N,N-bis(triethoxysilylmethyl)cyclohexanamine (CID 23154679) is N,N-bis(triethoxysilylmethyl)cyclohexanamine.
What is the SMILES notation for N,N-bis(triethoxysilylmethyl)cyclohexanamine?
The canonical SMILES for N,N-bis(triethoxysilylmethyl)cyclohexanamine is CCO[Si](CN(C[Si](OCC)(OCC)OCC)C1CCCCC1)(OCC)OCC.
What is the InChIKey of N,N-bis(triethoxysilylmethyl)cyclohexanamine?
The InChIKey is SCSFDJZWDRBMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H45NO6Si2/c1-7-22-28(23-8-2,24-9-3)18-21(20-16-14-13-15-17-20)19-29(25-10-4,26-11-5)27-12-6/h20H,7-19H2,1-6H3.
What are the key properties of N,N-bis(triethoxysilylmethyl)cyclohexanamine?
N,N-bis(triethoxysilylmethyl)cyclohexanamine has a molecular weight of 451.75 g/mol, XLogP of 3.80, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(triethoxysilylmethyl)cyclohexanamine is sourced from PubChem (CID 23154679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).