N-ethyl-2-(3-methoxysilylpropoxy)-N-[2-(3-methoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine

C18H43NO4Si2 — CID 154406543

IUPACN-ethyl-2-(3-methoxysilylpropoxy)-N-[2-(3-methoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine
SMILESCCN(CC(C)(C)OCCC[SiH2]OC)CC(C)(C)OCCC[SiH2]OC
InChIInChI=1S/C18H43NO4Si2/c1-8-19(15-17(2,3)22-11-9-13-24-20-6)16-18(4,5)23-12-10-14-25-21-7/h8-16,24-25H2,1-7H3
InChIKeyDMBCRBUHZCRGLN-UHFFFAOYSA-N
MW393.72 g/mol
LogP1.98
Rot. Bonds17

About N-ethyl-2-(3-methoxysilylpropoxy)-N-[2-(3-methoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine

N-ethyl-2-(3-methoxysilylpropoxy)-N-[2-(3-methoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine (PubChem CID 154406543) has the molecular formula C18H43NO4Si2 and a molecular weight of 393.72 g/mol. Its IUPAC name is N-ethyl-2-(3-methoxysilylpropoxy)-N-[2-(3-methoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-methoxysilylpropoxy)-N-[2-(3-methoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine
PubChem CID154406543
Molecular FormulaC18H43NO4Si2
Molecular Weight393.72 g/mol
Exact Mass393.27
IUPAC NameN-ethyl-2-(3-methoxysilylpropoxy)-N-[2-(3-methoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine
SMILESCCN(CC(C)(C)OCCC[SiH2]OC)CC(C)(C)OCCC[SiH2]OC
InChIInChI=1S/C18H43NO4Si2/c1-8-19(15-17(2,3)22-11-9-13-24-20-6)16-18(4,5)23-12-10-14-25-21-7/h8-16,24-25H2,1-7H3
InChIKeyDMBCRBUHZCRGLN-UHFFFAOYSA-N
XLogP1.98
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.72
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methoxysilylpropoxy)-N-[2-(3-methoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine?
The IUPAC name of N-ethyl-2-(3-methoxysilylpropoxy)-N-[2-(3-methoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine (CID 154406543) is N-ethyl-2-(3-methoxysilylpropoxy)-N-[2-(3-methoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-ethyl-2-(3-methoxysilylpropoxy)-N-[2-(3-methoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine?
The canonical SMILES for N-ethyl-2-(3-methoxysilylpropoxy)-N-[2-(3-methoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine is CCN(CC(C)(C)OCCC[SiH2]OC)CC(C)(C)OCCC[SiH2]OC.
What is the InChIKey of N-ethyl-2-(3-methoxysilylpropoxy)-N-[2-(3-methoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine?
The InChIKey is DMBCRBUHZCRGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H43NO4Si2/c1-8-19(15-17(2,3)22-11-9-13-24-20-6)16-18(4,5)23-12-10-14-25-21-7/h8-16,24-25H2,1-7H3.
What are the key properties of N-ethyl-2-(3-methoxysilylpropoxy)-N-[2-(3-methoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine?
N-ethyl-2-(3-methoxysilylpropoxy)-N-[2-(3-methoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine has a molecular weight of 393.72 g/mol, XLogP of 1.98, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methoxysilylpropoxy)-N-[2-(3-methoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine is sourced from PubChem (CID 154406543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).