2-methyl-N-(2-methylpropyl)-N-(1-trimethoxysilylpropyl)propan-1-amine

C14H33NO3Si — CID 87686623

IUPAC2-methyl-N-(2-methylpropyl)-N-(1-trimethoxysilylpropyl)propan-1-amine
SMILESCCC(N(CC(C)C)CC(C)C)[Si](OC)(OC)OC
InChIInChI=1S/C14H33NO3Si/c1-9-14(19(16-6,17-7)18-8)15(10-12(2)3)11-13(4)5/h12-14H,9-11H2,1-8H3
InChIKeyWSTPTDFBMCHVOI-UHFFFAOYSA-N
MW291.51 g/mol
LogP2.80
Rot. Bonds10

About 2-methyl-N-(2-methylpropyl)-N-(1-trimethoxysilylpropyl)propan-1-amine

2-methyl-N-(2-methylpropyl)-N-(1-trimethoxysilylpropyl)propan-1-amine (PubChem CID 87686623) has the molecular formula C14H33NO3Si and a molecular weight of 291.51 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-N-(1-trimethoxysilylpropyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-N-(1-trimethoxysilylpropyl)propan-1-amine
PubChem CID87686623
Molecular FormulaC14H33NO3Si
Molecular Weight291.51 g/mol
Exact Mass291.22
IUPAC Name2-methyl-N-(2-methylpropyl)-N-(1-trimethoxysilylpropyl)propan-1-amine
SMILESCCC(N(CC(C)C)CC(C)C)[Si](OC)(OC)OC
InChIInChI=1S/C14H33NO3Si/c1-9-14(19(16-6,17-7)18-8)15(10-12(2)3)11-13(4)5/h12-14H,9-11H2,1-8H3
InChIKeyWSTPTDFBMCHVOI-UHFFFAOYSA-N
XLogP2.80
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.51
LogP ≤ 52.80
H-Bond Donors ≤ 50
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 2-methyl-N-(2-methylpropyl)-N-(1-trimethoxysilylpropyl)propan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-N-(1-trimethoxysilylpropyl)propan-1-amine (CID 87686623) is 2-methyl-N-(2-methylpropyl)-N-(1-trimethoxysilylpropyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-N-(1-trimethoxysilylpropyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-N-(1-trimethoxysilylpropyl)propan-1-amine is CCC(N(CC(C)C)CC(C)C)[Si](OC)(OC)OC.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-N-(1-trimethoxysilylpropyl)propan-1-amine?
The InChIKey is WSTPTDFBMCHVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33NO3Si/c1-9-14(19(16-6,17-7)18-8)15(10-12(2)3)11-13(4)5/h12-14H,9-11H2,1-8H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-N-(1-trimethoxysilylpropyl)propan-1-amine?
2-methyl-N-(2-methylpropyl)-N-(1-trimethoxysilylpropyl)propan-1-amine has a molecular weight of 291.51 g/mol, XLogP of 2.80, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-N-(1-trimethoxysilylpropyl)propan-1-amine is sourced from PubChem (CID 87686623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).