3-[2-[diethoxy(ethyl)silyl]ethyl]-3-[2-(diethylamino)ethyl]-N,N,N',N'-tetraethylpentane-1,5-diamine

C27H61N3O2Si — CID 142718312

IUPAC3-[2-[diethoxy(ethyl)silyl]ethyl]-3-[2-(diethylamino)ethyl]-N,N,N',N'-tetraethylpentane-1,5-diamine
SMILESCCO[Si](CC)(CCC(CCN(CC)CC)(CCN(CC)CC)CCN(CC)CC)OCC
InChIInChI=1S/C27H61N3O2Si/c1-10-28(11-2)23-19-27(20-24-29(12-3)13-4,21-25-30(14-5)15-6)22-26-33(18-9,31-16-7)32-17-8/h10-26H2,1-9H3
InChIKeyHLJINZSPCAZOFR-UHFFFAOYSA-N
MW487.89 g/mol
LogP6.09
Rot. Bonds23

About 3-[2-[diethoxy(ethyl)silyl]ethyl]-3-[2-(diethylamino)ethyl]-N,N,N',N'-tetraethylpentane-1,5-diamine

3-[2-[diethoxy(ethyl)silyl]ethyl]-3-[2-(diethylamino)ethyl]-N,N,N',N'-tetraethylpentane-1,5-diamine (PubChem CID 142718312) has the molecular formula C27H61N3O2Si and a molecular weight of 487.89 g/mol. Its IUPAC name is 3-[2-[diethoxy(ethyl)silyl]ethyl]-3-[2-(diethylamino)ethyl]-N,N,N',N'-tetraethylpentane-1,5-diamine.

Molecular Properties

Compound Name3-[2-[diethoxy(ethyl)silyl]ethyl]-3-[2-(diethylamino)ethyl]-N,N,N',N'-tetraethylpentane-1,5-diamine
PubChem CID142718312
Molecular FormulaC27H61N3O2Si
Molecular Weight487.89 g/mol
Exact Mass487.45
IUPAC Name3-[2-[diethoxy(ethyl)silyl]ethyl]-3-[2-(diethylamino)ethyl]-N,N,N',N'-tetraethylpentane-1,5-diamine
SMILESCCO[Si](CC)(CCC(CCN(CC)CC)(CCN(CC)CC)CCN(CC)CC)OCC
InChIInChI=1S/C27H61N3O2Si/c1-10-28(11-2)23-19-27(20-24-29(12-3)13-4,21-25-30(14-5)15-6)22-26-33(18-9,31-16-7)32-17-8/h10-26H2,1-9H3
InChIKeyHLJINZSPCAZOFR-UHFFFAOYSA-N
XLogP6.09
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.89
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[diethoxy(ethyl)silyl]ethyl]-3-[2-(diethylamino)ethyl]-N,N,N',N'-tetraethylpentane-1,5-diamine?
The IUPAC name of 3-[2-[diethoxy(ethyl)silyl]ethyl]-3-[2-(diethylamino)ethyl]-N,N,N',N'-tetraethylpentane-1,5-diamine (CID 142718312) is 3-[2-[diethoxy(ethyl)silyl]ethyl]-3-[2-(diethylamino)ethyl]-N,N,N',N'-tetraethylpentane-1,5-diamine.
What is the SMILES notation for 3-[2-[diethoxy(ethyl)silyl]ethyl]-3-[2-(diethylamino)ethyl]-N,N,N',N'-tetraethylpentane-1,5-diamine?
The canonical SMILES for 3-[2-[diethoxy(ethyl)silyl]ethyl]-3-[2-(diethylamino)ethyl]-N,N,N',N'-tetraethylpentane-1,5-diamine is CCO[Si](CC)(CCC(CCN(CC)CC)(CCN(CC)CC)CCN(CC)CC)OCC.
What is the InChIKey of 3-[2-[diethoxy(ethyl)silyl]ethyl]-3-[2-(diethylamino)ethyl]-N,N,N',N'-tetraethylpentane-1,5-diamine?
The InChIKey is HLJINZSPCAZOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H61N3O2Si/c1-10-28(11-2)23-19-27(20-24-29(12-3)13-4,21-25-30(14-5)15-6)22-26-33(18-9,31-16-7)32-17-8/h10-26H2,1-9H3.
What are the key properties of 3-[2-[diethoxy(ethyl)silyl]ethyl]-3-[2-(diethylamino)ethyl]-N,N,N',N'-tetraethylpentane-1,5-diamine?
3-[2-[diethoxy(ethyl)silyl]ethyl]-3-[2-(diethylamino)ethyl]-N,N,N',N'-tetraethylpentane-1,5-diamine has a molecular weight of 487.89 g/mol, XLogP of 6.09, 23 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[diethoxy(ethyl)silyl]ethyl]-3-[2-(diethylamino)ethyl]-N,N,N',N'-tetraethylpentane-1,5-diamine is sourced from PubChem (CID 142718312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).