2-trimethylsilylethyl N-[(2R,3R)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate

C16H34N2O3Si — CID 67189302

IUPAC2-trimethylsilylethyl N-[(2R,3R)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate
SMILESCN(C[C@@H](N)[C@H](O)C1CCCCC1)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C16H34N2O3Si/c1-18(16(20)21-10-11-22(2,3)4)12-14(17)15(19)13-8-6-5-7-9-13/h13-15,19H,5-12,17H2,1-4H3/t14-,15-/m1/s1
InChIKeyNPJPPSQLJYSKEV-HUUCEWRRSA-N
MW330.55 g/mol
LogP2.66
Rot. Bonds7

About 2-trimethylsilylethyl N-[(2R,3R)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate

2-trimethylsilylethyl N-[(2R,3R)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate (PubChem CID 67189302) has the molecular formula C16H34N2O3Si and a molecular weight of 330.55 g/mol. Its IUPAC name is 2-trimethylsilylethyl N-[(2R,3R)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate.

Molecular Properties

Compound Name2-trimethylsilylethyl N-[(2R,3R)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate
PubChem CID67189302
Molecular FormulaC16H34N2O3Si
Molecular Weight330.55 g/mol
Exact Mass330.23
IUPAC Name2-trimethylsilylethyl N-[(2R,3R)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate
SMILESCN(C[C@@H](N)[C@H](O)C1CCCCC1)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C16H34N2O3Si/c1-18(16(20)21-10-11-22(2,3)4)12-14(17)15(19)13-8-6-5-7-9-13/h13-15,19H,5-12,17H2,1-4H3/t14-,15-/m1/s1
InChIKeyNPJPPSQLJYSKEV-HUUCEWRRSA-N
XLogP2.66
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.55
LogP ≤ 52.66
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,3R)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate?
The IUPAC name of 2-trimethylsilylethyl N-[(2R,3R)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate (CID 67189302) is 2-trimethylsilylethyl N-[(2R,3R)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate.
What is the SMILES notation for 2-trimethylsilylethyl N-[(2R,3R)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate?
The canonical SMILES for 2-trimethylsilylethyl N-[(2R,3R)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate is CN(C[C@@H](N)[C@H](O)C1CCCCC1)C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl N-[(2R,3R)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate?
The InChIKey is NPJPPSQLJYSKEV-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H34N2O3Si/c1-18(16(20)21-10-11-22(2,3)4)12-14(17)15(19)13-8-6-5-7-9-13/h13-15,19H,5-12,17H2,1-4H3/t14-,15-/m1/s1.
What are the key properties of 2-trimethylsilylethyl N-[(2R,3R)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate?
2-trimethylsilylethyl N-[(2R,3R)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate has a molecular weight of 330.55 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl N-[(2R,3R)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate is sourced from PubChem (CID 67189302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).