N'-[2-[dimethoxy(2-phenylethyl)silyl]oxyethyl]ethane-1,2-diamine

C14H26N2O3Si — CID 53427353

IUPACN'-[2-[dimethoxy(2-phenylethyl)silyl]oxyethyl]ethane-1,2-diamine
SMILESCO[Si](CCc1ccccc1)(OC)OCCNCCN
InChIInChI=1S/C14H26N2O3Si/c1-17-20(18-2,19-12-11-16-10-9-15)13-8-14-6-4-3-5-7-14/h3-7,16H,8-13,15H2,1-2H3
InChIKeyXKLJRDXPVLBKKA-UHFFFAOYSA-N
MW298.46 g/mol
LogP1.03
Rot. Bonds11

About N'-[2-[dimethoxy(2-phenylethyl)silyl]oxyethyl]ethane-1,2-diamine

N'-[2-[dimethoxy(2-phenylethyl)silyl]oxyethyl]ethane-1,2-diamine (PubChem CID 53427353) has the molecular formula C14H26N2O3Si and a molecular weight of 298.46 g/mol. Its IUPAC name is N'-[2-[dimethoxy(2-phenylethyl)silyl]oxyethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[dimethoxy(2-phenylethyl)silyl]oxyethyl]ethane-1,2-diamine
PubChem CID53427353
Molecular FormulaC14H26N2O3Si
Molecular Weight298.46 g/mol
Exact Mass298.17
IUPAC NameN'-[2-[dimethoxy(2-phenylethyl)silyl]oxyethyl]ethane-1,2-diamine
SMILESCO[Si](CCc1ccccc1)(OC)OCCNCCN
InChIInChI=1S/C14H26N2O3Si/c1-17-20(18-2,19-12-11-16-10-9-15)13-8-14-6-4-3-5-7-14/h3-7,16H,8-13,15H2,1-2H3
InChIKeyXKLJRDXPVLBKKA-UHFFFAOYSA-N
XLogP1.03
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
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

N'-[3-[dimethoxy(2-phenylethyl)silyl]oxypropyl]ethane-1,2-diamine
CID 66688681
3-[dimethoxy(2-phenylethoxy)silyl]propan-1-amine
CID 66744163
2-[dimethoxy(2-phenylethyl)silyl]oxyethanethiol
CID 87336831
3-[dimethoxy(phenylmethoxy)silyl]propan-1-amine
CID 66586388
[dimethoxy(3-phenylpropoxy)silyl]methanamine
CID 139835551
trimethoxy(12-phenyldodecyl)silane
CID 54325157
trimethoxy(2-phenylethyl)silane;trimethyl(2-phenylethyl)silane
CID 159040096
trimethoxy(2-phenylethyl)silane;trimethoxy(propyl)silane
CID 70127509
N'-[3-[dimethoxy(propyl)silyl]oxypropyl]ethane-1,2-diamine
CID 141429478
N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride
CID 19829630
N'-(2-aminoethyl)ethane-1,2-diamine;3-trimethoxysilylpropan-1-amine
CID 158654505
N-[4-[3-anilinopropyl(dimethoxy)silyl]oxybutyl]aniline
CID 151955793

Frequently Asked Questions

What is the IUPAC name of N'-[2-[dimethoxy(2-phenylethyl)silyl]oxyethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[dimethoxy(2-phenylethyl)silyl]oxyethyl]ethane-1,2-diamine (CID 53427353) is N'-[2-[dimethoxy(2-phenylethyl)silyl]oxyethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[dimethoxy(2-phenylethyl)silyl]oxyethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[dimethoxy(2-phenylethyl)silyl]oxyethyl]ethane-1,2-diamine is CO[Si](CCc1ccccc1)(OC)OCCNCCN.
What is the InChIKey of N'-[2-[dimethoxy(2-phenylethyl)silyl]oxyethyl]ethane-1,2-diamine?
The InChIKey is XKLJRDXPVLBKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3Si/c1-17-20(18-2,19-12-11-16-10-9-15)13-8-14-6-4-3-5-7-14/h3-7,16H,8-13,15H2,1-2H3.
What are the key properties of N'-[2-[dimethoxy(2-phenylethyl)silyl]oxyethyl]ethane-1,2-diamine?
N'-[2-[dimethoxy(2-phenylethyl)silyl]oxyethyl]ethane-1,2-diamine has a molecular weight of 298.46 g/mol, XLogP of 1.03, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[dimethoxy(2-phenylethyl)silyl]oxyethyl]ethane-1,2-diamine is sourced from PubChem (CID 53427353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).