tert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate

C12H27NO2Si — CID 159187536

IUPACtert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate
SMILESCN(CCC[Si](C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H27NO2Si/c1-12(2,3)15-11(14)13(4)9-8-10-16(5,6)7/h8-10H2,1-7H3
InChIKeyUGDZVJFASZVNCK-UHFFFAOYSA-N
MW245.44 g/mol
LogP3.58
Rot. Bonds4

About tert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate

tert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate (PubChem CID 159187536) has the molecular formula C12H27NO2Si and a molecular weight of 245.44 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate
PubChem CID159187536
Molecular FormulaC12H27NO2Si
Molecular Weight245.44 g/mol
Exact Mass245.18
IUPAC Nametert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate
SMILESCN(CCC[Si](C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H27NO2Si/c1-12(2,3)15-11(14)13(4)9-8-10-16(5,6)7/h8-10H2,1-7H3
InChIKeyUGDZVJFASZVNCK-UHFFFAOYSA-N
XLogP3.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.44
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate (CID 159187536) is tert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate is CN(CCC[Si](C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate?
The InChIKey is UGDZVJFASZVNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2Si/c1-12(2,3)15-11(14)13(4)9-8-10-16(5,6)7/h8-10H2,1-7H3.
What are the key properties of tert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate?
tert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate has a molecular weight of 245.44 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate is sourced from PubChem (CID 159187536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).