2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-N-methylcarbamate

C17H36N2O3Si — CID 57462033

IUPAC2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-N-methylcarbamate
SMILESCN(C[C@@H](O)[C@@H](N)CC1CCCCC1)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C17H36N2O3Si/c1-19(17(21)22-10-11-23(2,3)4)13-16(20)15(18)12-14-8-6-5-7-9-14/h14-16,20H,5-13,18H2,1-4H3/t15-,16+/m0/s1
InChIKeyHRGGPUGSTQBPCG-JKSUJKDBSA-N
MW344.57 g/mol
LogP3.05
Rot. Bonds8

About 2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-N-methylcarbamate

2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-N-methylcarbamate (PubChem CID 57462033) has the molecular formula C17H36N2O3Si and a molecular weight of 344.57 g/mol. Its IUPAC name is 2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-N-methylcarbamate.

Molecular Properties

Compound Name2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-N-methylcarbamate
PubChem CID57462033
Molecular FormulaC17H36N2O3Si
Molecular Weight344.57 g/mol
Exact Mass344.25
IUPAC Name2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-N-methylcarbamate
SMILESCN(C[C@@H](O)[C@@H](N)CC1CCCCC1)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C17H36N2O3Si/c1-19(17(21)22-10-11-23(2,3)4)13-16(20)15(18)12-14-8-6-5-7-9-14/h14-16,20H,5-13,18H2,1-4H3/t15-,16+/m0/s1
InChIKeyHRGGPUGSTQBPCG-JKSUJKDBSA-N
XLogP3.05
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 53.05
H-Bond Donors ≤ 52
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-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-N-methylcarbamate?
The IUPAC name of 2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-N-methylcarbamate (CID 57462033) is 2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-N-methylcarbamate.
What is the SMILES notation for 2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-N-methylcarbamate?
The canonical SMILES for 2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-N-methylcarbamate is CN(C[C@@H](O)[C@@H](N)CC1CCCCC1)C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-N-methylcarbamate?
The InChIKey is HRGGPUGSTQBPCG-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H36N2O3Si/c1-19(17(21)22-10-11-23(2,3)4)13-16(20)15(18)12-14-8-6-5-7-9-14/h14-16,20H,5-13,18H2,1-4H3/t15-,16+/m0/s1.
What are the key properties of 2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-N-methylcarbamate?
2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-N-methylcarbamate has a molecular weight of 344.57 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]-N-methylcarbamate is sourced from PubChem (CID 57462033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).