(2S)-3-cyclohexyl-1-N-(2-trimethylsilylethoxymethyl)propane-1,2-diamine

C15H34N2OSi — CID 68711280

IUPAC(2S)-3-cyclohexyl-1-N-(2-trimethylsilylethoxymethyl)propane-1,2-diamine
SMILESC[Si](C)(C)CCOCNC[C@@H](N)CC1CCCCC1
InChIInChI=1S/C15H34N2OSi/c1-19(2,3)10-9-18-13-17-12-15(16)11-14-7-5-4-6-8-14/h14-15,17H,4-13,16H2,1-3H3/t15-/m0/s1
InChIKeyGGYOBHOJWQTBCI-HNNXBMFYSA-N
MW286.54 g/mol
LogP3.19
Rot. Bonds9

About (2S)-3-cyclohexyl-1-N-(2-trimethylsilylethoxymethyl)propane-1,2-diamine

(2S)-3-cyclohexyl-1-N-(2-trimethylsilylethoxymethyl)propane-1,2-diamine (PubChem CID 68711280) has the molecular formula C15H34N2OSi and a molecular weight of 286.54 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-1-N-(2-trimethylsilylethoxymethyl)propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-1-N-(2-trimethylsilylethoxymethyl)propane-1,2-diamine
PubChem CID68711280
Molecular FormulaC15H34N2OSi
Molecular Weight286.54 g/mol
Exact Mass286.24
IUPAC Name(2S)-3-cyclohexyl-1-N-(2-trimethylsilylethoxymethyl)propane-1,2-diamine
SMILESC[Si](C)(C)CCOCNC[C@@H](N)CC1CCCCC1
InChIInChI=1S/C15H34N2OSi/c1-19(2,3)10-9-18-13-17-12-15(16)11-14-7-5-4-6-8-14/h14-15,17H,4-13,16H2,1-3H3/t15-/m0/s1
InChIKeyGGYOBHOJWQTBCI-HNNXBMFYSA-N
XLogP3.19
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.54
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2S)-3-cyclohexyl-1-N-(2-trimethylsilylethoxymethyl)propane-1,2-diamine 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

2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]carbamate
CID 57462032
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
2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]-N-propylcarbamate
CID 67190569
tert-butyl N-(2-amino-3-cyclopentylpropyl)carbamate
CID 84728252
1,3-dicyclopentylpropan-2-amine
CID 58122660
(2S)-1-cyclohexyl-3-ethylsulfinylpropan-2-amine
CID 10536763
1-cyclohexyl-5-methoxypentan-2-amine
CID 65092031
(2S)-1-cyclopentylbutan-2-amine
CID 58736664
tert-butyl (3S)-2-amino-3-[(2-amino-2-oxoethyl)-(2-trimethylsilylethoxycarbonyl)amino]-4-cyclohexylbutanoate
CID 67189677
1-N,3-dicyclohexyl-1-N-methylpropane-1,2-diamine
CID 114264928
1-cyclohexyl-4-methoxy-4-methylpentan-2-amine
CID 103025087
2-cyclohexyl-1-N'-methylethane-1,1-diamine
CID 139541919

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-1-N-(2-trimethylsilylethoxymethyl)propane-1,2-diamine?
The IUPAC name of (2S)-3-cyclohexyl-1-N-(2-trimethylsilylethoxymethyl)propane-1,2-diamine (CID 68711280) is (2S)-3-cyclohexyl-1-N-(2-trimethylsilylethoxymethyl)propane-1,2-diamine.
What is the SMILES notation for (2S)-3-cyclohexyl-1-N-(2-trimethylsilylethoxymethyl)propane-1,2-diamine?
The canonical SMILES for (2S)-3-cyclohexyl-1-N-(2-trimethylsilylethoxymethyl)propane-1,2-diamine is C[Si](C)(C)CCOCNC[C@@H](N)CC1CCCCC1.
What is the InChIKey of (2S)-3-cyclohexyl-1-N-(2-trimethylsilylethoxymethyl)propane-1,2-diamine?
The InChIKey is GGYOBHOJWQTBCI-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H34N2OSi/c1-19(2,3)10-9-18-13-17-12-15(16)11-14-7-5-4-6-8-14/h14-15,17H,4-13,16H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-3-cyclohexyl-1-N-(2-trimethylsilylethoxymethyl)propane-1,2-diamine?
(2S)-3-cyclohexyl-1-N-(2-trimethylsilylethoxymethyl)propane-1,2-diamine has a molecular weight of 286.54 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexyl-1-N-(2-trimethylsilylethoxymethyl)propane-1,2-diamine is sourced from PubChem (CID 68711280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).