2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]-N-propylcarbamate

C18H38N2O2Si — CID 67190569

IUPAC2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]-N-propylcarbamate
SMILESCCCN(C[C@@H](N)CC1CCCCC1)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C18H38N2O2Si/c1-5-11-20(18(21)22-12-13-23(2,3)4)15-17(19)14-16-9-7-6-8-10-16/h16-17H,5-15,19H2,1-4H3/t17-/m0/s1
InChIKeyONMXDTOQJOKKSE-KRWDZBQOSA-N
MW342.60 g/mol
LogP4.47
Rot. Bonds9

About 2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]-N-propylcarbamate

2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]-N-propylcarbamate (PubChem CID 67190569) has the molecular formula C18H38N2O2Si and a molecular weight of 342.60 g/mol. Its IUPAC name is 2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]-N-propylcarbamate.

Molecular Properties

Compound Name2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]-N-propylcarbamate
PubChem CID67190569
Molecular FormulaC18H38N2O2Si
Molecular Weight342.60 g/mol
Exact Mass342.27
IUPAC Name2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]-N-propylcarbamate
SMILESCCCN(C[C@@H](N)CC1CCCCC1)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C18H38N2O2Si/c1-5-11-20(18(21)22-12-13-23(2,3)4)15-17(19)14-16-9-7-6-8-10-16/h16-17H,5-15,19H2,1-4H3/t17-/m0/s1
InChIKeyONMXDTOQJOKKSE-KRWDZBQOSA-N
XLogP4.47
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]-N-propylcarbamate with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-3-cyclohexyl-1-N-(2-trimethylsilylethoxymethyl)propane-1,2-diamine
CID 68711280
tert-butyl (3S)-2-amino-3-[(2-amino-2-oxoethyl)-(2-trimethylsilylethoxycarbonyl)amino]-4-cyclohexylbutanoate
CID 67189677
2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]carbamate
CID 57462032
4-methylbenzenesulfonic acid;2-trimethylsilylethyl N-(2-amino-2-oxoethyl)-N-[(2S)-3-cyclohexyl-2-methylpropyl]carbamate
CID 123345621
2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]carbamate;2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 69262733
ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride
CID 67876797
2-amino-N-(cyclohexylmethyl)-N-propylpentanamide;hydrochloride
CID 119302235
2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[[3-[methoxy(methyl)carbamoyl]benzoyl]amino]propyl]-N-methylcarbamate
CID 86626202
2-amino-2-(oxan-4-yl)-N-(oxan-2-ylmethyl)-N-propylacetamide
CID 120792434
1-N,3-dicyclohexyl-1-N-methylpropane-1,2-diamine
CID 114264928
ethyl N-(cyclopropylmethyl)-N-propylcarbamate
CID 60637808
3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide
CID 119777186

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]-N-propylcarbamate?
The IUPAC name of 2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]-N-propylcarbamate (CID 67190569) is 2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]-N-propylcarbamate.
What is the SMILES notation for 2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]-N-propylcarbamate?
The canonical SMILES for 2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]-N-propylcarbamate is CCCN(C[C@@H](N)CC1CCCCC1)C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]-N-propylcarbamate?
The InChIKey is ONMXDTOQJOKKSE-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H38N2O2Si/c1-5-11-20(18(21)22-12-13-23(2,3)4)15-17(19)14-16-9-7-6-8-10-16/h16-17H,5-15,19H2,1-4H3/t17-/m0/s1.
What are the key properties of 2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]-N-propylcarbamate?
2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]-N-propylcarbamate has a molecular weight of 342.60 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]-N-propylcarbamate is sourced from PubChem (CID 67190569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).