N'-[3-[dimethoxy(2-phenylethyl)silyl]oxypropyl]ethane-1,2-diamine

C15H28N2O3Si — CID 66688681

IUPACN'-[3-[dimethoxy(2-phenylethyl)silyl]oxypropyl]ethane-1,2-diamine
SMILESCO[Si](CCc1ccccc1)(OC)OCCCNCCN
InChIInChI=1S/C15H28N2O3Si/c1-18-21(19-2,20-13-6-11-17-12-10-16)14-9-15-7-4-3-5-8-15/h3-5,7-8,17H,6,9-14,16H2,1-2H3
InChIKeyLHWGFUNMNGDUOR-UHFFFAOYSA-N
MW312.49 g/mol
LogP1.42
Rot. Bonds12

About N'-[3-[dimethoxy(2-phenylethyl)silyl]oxypropyl]ethane-1,2-diamine

N'-[3-[dimethoxy(2-phenylethyl)silyl]oxypropyl]ethane-1,2-diamine (PubChem CID 66688681) has the molecular formula C15H28N2O3Si and a molecular weight of 312.49 g/mol. Its IUPAC name is N'-[3-[dimethoxy(2-phenylethyl)silyl]oxypropyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-[dimethoxy(2-phenylethyl)silyl]oxypropyl]ethane-1,2-diamine
PubChem CID66688681
Molecular FormulaC15H28N2O3Si
Molecular Weight312.49 g/mol
Exact Mass312.19
IUPAC NameN'-[3-[dimethoxy(2-phenylethyl)silyl]oxypropyl]ethane-1,2-diamine
SMILESCO[Si](CCc1ccccc1)(OC)OCCCNCCN
InChIInChI=1S/C15H28N2O3Si/c1-18-21(19-2,20-13-6-11-17-12-10-16)14-9-15-7-4-3-5-8-15/h3-5,7-8,17H,6,9-14,16H2,1-2H3
InChIKeyLHWGFUNMNGDUOR-UHFFFAOYSA-N
XLogP1.42
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.49
LogP ≤ 51.42
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'-[2-[dimethoxy(2-phenylethyl)silyl]oxyethyl]ethane-1,2-diamine
CID 53427353
3-[dimethoxy(2-phenylethoxy)silyl]propan-1-amine
CID 66744163
N'-[3-[dimethoxy(propyl)silyl]oxypropyl]ethane-1,2-diamine
CID 141429478
[dimethoxy(3-phenylpropoxy)silyl]methanamine
CID 139835551
2-[dimethoxy(2-phenylethyl)silyl]oxyethanethiol
CID 87336831
3-[dimethoxy(phenylmethoxy)silyl]propan-1-amine
CID 66586388
N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride
CID 19829630
N-(3-methoxypropyl)-3-phenylpropan-1-amine
CID 28674385
trimethoxy(12-phenyldodecyl)silane
CID 54325157
trimethoxy(2-phenylethyl)silane;trimethoxy(propyl)silane
CID 70127509
trimethoxy(2-phenylethyl)silane;trimethyl(2-phenylethyl)silane
CID 159040096
N-[4-[3-anilinopropyl(dimethoxy)silyl]oxybutyl]aniline
CID 151955793

Frequently Asked Questions

What is the IUPAC name of N'-[3-[dimethoxy(2-phenylethyl)silyl]oxypropyl]ethane-1,2-diamine?
The IUPAC name of N'-[3-[dimethoxy(2-phenylethyl)silyl]oxypropyl]ethane-1,2-diamine (CID 66688681) is N'-[3-[dimethoxy(2-phenylethyl)silyl]oxypropyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-[dimethoxy(2-phenylethyl)silyl]oxypropyl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-[dimethoxy(2-phenylethyl)silyl]oxypropyl]ethane-1,2-diamine is CO[Si](CCc1ccccc1)(OC)OCCCNCCN.
What is the InChIKey of N'-[3-[dimethoxy(2-phenylethyl)silyl]oxypropyl]ethane-1,2-diamine?
The InChIKey is LHWGFUNMNGDUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3Si/c1-18-21(19-2,20-13-6-11-17-12-10-16)14-9-15-7-4-3-5-8-15/h3-5,7-8,17H,6,9-14,16H2,1-2H3.
What are the key properties of N'-[3-[dimethoxy(2-phenylethyl)silyl]oxypropyl]ethane-1,2-diamine?
N'-[3-[dimethoxy(2-phenylethyl)silyl]oxypropyl]ethane-1,2-diamine has a molecular weight of 312.49 g/mol, XLogP of 1.42, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[dimethoxy(2-phenylethyl)silyl]oxypropyl]ethane-1,2-diamine is sourced from PubChem (CID 66688681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).