N'-[(2R)-3-phenyl-2-trimethoxysilylpropyl]ethane-1,2-diamine

C14H26N2O3Si — CID 99738332

IUPACN'-[(2R)-3-phenyl-2-trimethoxysilylpropyl]ethane-1,2-diamine
SMILESCO[Si](OC)(OC)[C@@H](CNCCN)Cc1ccccc1
InChIInChI=1S/C14H26N2O3Si/c1-17-20(18-2,19-3)14(12-16-10-9-15)11-13-7-5-4-6-8-13/h4-8,14,16H,9-12,15H2,1-3H3/t14-/m1/s1
InChIKeyWVXRXDRLELTNIS-CQSZACIVSA-N
MW298.46 g/mol
LogP1.03
Rot. Bonds10

About N'-[(2R)-3-phenyl-2-trimethoxysilylpropyl]ethane-1,2-diamine

N'-[(2R)-3-phenyl-2-trimethoxysilylpropyl]ethane-1,2-diamine (PubChem CID 99738332) has the molecular formula C14H26N2O3Si and a molecular weight of 298.46 g/mol. Its IUPAC name is N'-[(2R)-3-phenyl-2-trimethoxysilylpropyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2R)-3-phenyl-2-trimethoxysilylpropyl]ethane-1,2-diamine
PubChem CID99738332
Molecular FormulaC14H26N2O3Si
Molecular Weight298.46 g/mol
Exact Mass298.17
IUPAC NameN'-[(2R)-3-phenyl-2-trimethoxysilylpropyl]ethane-1,2-diamine
SMILESCO[Si](OC)(OC)[C@@H](CNCCN)Cc1ccccc1
InChIInChI=1S/C14H26N2O3Si/c1-17-20(18-2,19-3)14(12-16-10-9-15)11-13-7-5-4-6-8-13/h4-8,14,16H,9-12,15H2,1-3H3/t14-/m1/s1
InChIKeyWVXRXDRLELTNIS-CQSZACIVSA-N
XLogP1.03
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-aminoethylamino)-4-phenylbutan-2-yl] dimethyl phosphite
CID 172684373
N'-[2-[dimethoxy(2-phenylethyl)silyl]oxyethyl]ethane-1,2-diamine
CID 53427353
1-N'-ethyl-3-phenyl-2-trimethoxysilylpropane-1,1-diamine
CID 66659087
N'-benzylethane-1,2-diamine;dihydrochloride
CID 161258578
N'-[3-[dimethoxy(2-phenylethyl)silyl]oxypropyl]ethane-1,2-diamine
CID 66688681
2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649362
benzyl 3-amino-4-(2-aminoethylamino)butanoate
CID 152756849
ethane;N'-[4-phenyl-2-(2-phenylethyl)butyl]propane-1,3-diamine
CID 145359006
2-benzyl-3-phenyl-N-propylpropan-1-amine
CID 62530255
methyl 2-methyl-3-phenylpropanoate
CID 11105919
3-[dimethoxy(phenylmethoxy)silyl]propan-1-amine
CID 66586388
2-benzyl-N-(2-methoxyethyl)hexan-1-amine
CID 62725458

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-3-phenyl-2-trimethoxysilylpropyl]ethane-1,2-diamine?
The IUPAC name of N'-[(2R)-3-phenyl-2-trimethoxysilylpropyl]ethane-1,2-diamine (CID 99738332) is N'-[(2R)-3-phenyl-2-trimethoxysilylpropyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(2R)-3-phenyl-2-trimethoxysilylpropyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(2R)-3-phenyl-2-trimethoxysilylpropyl]ethane-1,2-diamine is CO[Si](OC)(OC)[C@@H](CNCCN)Cc1ccccc1.
What is the InChIKey of N'-[(2R)-3-phenyl-2-trimethoxysilylpropyl]ethane-1,2-diamine?
The InChIKey is WVXRXDRLELTNIS-CQSZACIVSA-N. The full InChI is InChI=1S/C14H26N2O3Si/c1-17-20(18-2,19-3)14(12-16-10-9-15)11-13-7-5-4-6-8-13/h4-8,14,16H,9-12,15H2,1-3H3/t14-/m1/s1.
What are the key properties of N'-[(2R)-3-phenyl-2-trimethoxysilylpropyl]ethane-1,2-diamine?
N'-[(2R)-3-phenyl-2-trimethoxysilylpropyl]ethane-1,2-diamine has a molecular weight of 298.46 g/mol, XLogP of 1.03, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-3-phenyl-2-trimethoxysilylpropyl]ethane-1,2-diamine is sourced from PubChem (CID 99738332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).