4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[ethyl(dimethoxy)silyl]ethyl]heptane-1,7-diamine

C28H63N3O2Si — CID 140647478

IUPAC4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[ethyl(dimethoxy)silyl]ethyl]heptane-1,7-diamine
SMILESCCN(CC)CCCC(CCCN(CC)CC)(CCCN(CC)CC)CC[Si](CC)(OC)OC
InChIInChI=1S/C28H63N3O2Si/c1-10-29(11-2)24-17-20-28(21-18-25-30(12-3)13-4,22-19-26-31(14-5)15-6)23-27-34(16-7,32-8)33-9/h10-27H2,1-9H3
InChIKeyGWWSFNJHOPGEIY-UHFFFAOYSA-N
MW501.92 g/mol
LogP6.48
Rot. Bonds24

About 4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[ethyl(dimethoxy)silyl]ethyl]heptane-1,7-diamine

4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[ethyl(dimethoxy)silyl]ethyl]heptane-1,7-diamine (PubChem CID 140647478) has the molecular formula C28H63N3O2Si and a molecular weight of 501.92 g/mol. Its IUPAC name is 4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[ethyl(dimethoxy)silyl]ethyl]heptane-1,7-diamine.

Molecular Properties

Compound Name4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[ethyl(dimethoxy)silyl]ethyl]heptane-1,7-diamine
PubChem CID140647478
Molecular FormulaC28H63N3O2Si
Molecular Weight501.92 g/mol
Exact Mass501.47
IUPAC Name4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[ethyl(dimethoxy)silyl]ethyl]heptane-1,7-diamine
SMILESCCN(CC)CCCC(CCCN(CC)CC)(CCCN(CC)CC)CC[Si](CC)(OC)OC
InChIInChI=1S/C28H63N3O2Si/c1-10-29(11-2)24-17-20-28(21-18-25-30(12-3)13-4,22-19-26-31(14-5)15-6)23-27-34(16-7,32-8)33-9/h10-27H2,1-9H3
InChIKeyGWWSFNJHOPGEIY-UHFFFAOYSA-N
XLogP6.48
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.92
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-(2-trimethoxysilylethyl)heptane-1,7-diamine
CID 140647245
4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[methoxy(dimethyl)silyl]ethyl]heptane-1,7-diamine
CID 140647664
4-[3-(diethylamino)propyl]-4-[2-[ethoxy(diethyl)silyl]ethyl]-N,N,N',N'-tetraethylheptane-1,7-diamine
CID 140647582
3-[2-[diethoxy(ethyl)silyl]ethyl]-3-[2-(diethylamino)ethyl]-N,N,N',N'-tetraethylpentane-1,5-diamine
CID 142718312
N,N'-diethyl-4-[3-[ethyl(propyl)amino]propyl]-N,N'-dipropyl-4-(trimethoxysilylmethyl)heptane-1,7-diamine
CID 140647551
N,N'-diethyl-3-[[ethyl(dimethoxy)silyl]methyl]-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropylpentane-1,5-diamine
CID 142718352
N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-trimethoxysilylethyl)pentane-1,5-diamine
CID 142718319
4-[3-(dipropylamino)propyl]-4-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine
CID 140647594
N'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine
CID 140647739
N-[3-[ethyl(dimethoxy)silyl]propyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 142740314
N'-[3-[diethoxy(ethyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine
CID 140647627
N-ethyl-N'-[[ethyl(dimethoxy)silyl]methyl]-N'-[3-[ethyl(methyl)amino]propyl]-N-methylpropane-1,3-diamine
CID 140647529

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[ethyl(dimethoxy)silyl]ethyl]heptane-1,7-diamine?
The IUPAC name of 4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[ethyl(dimethoxy)silyl]ethyl]heptane-1,7-diamine (CID 140647478) is 4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[ethyl(dimethoxy)silyl]ethyl]heptane-1,7-diamine.
What is the SMILES notation for 4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[ethyl(dimethoxy)silyl]ethyl]heptane-1,7-diamine?
The canonical SMILES for 4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[ethyl(dimethoxy)silyl]ethyl]heptane-1,7-diamine is CCN(CC)CCCC(CCCN(CC)CC)(CCCN(CC)CC)CC[Si](CC)(OC)OC.
What is the InChIKey of 4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[ethyl(dimethoxy)silyl]ethyl]heptane-1,7-diamine?
The InChIKey is GWWSFNJHOPGEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H63N3O2Si/c1-10-29(11-2)24-17-20-28(21-18-25-30(12-3)13-4,22-19-26-31(14-5)15-6)23-27-34(16-7,32-8)33-9/h10-27H2,1-9H3.
What are the key properties of 4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[ethyl(dimethoxy)silyl]ethyl]heptane-1,7-diamine?
4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[ethyl(dimethoxy)silyl]ethyl]heptane-1,7-diamine has a molecular weight of 501.92 g/mol, XLogP of 6.48, 24 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[ethyl(dimethoxy)silyl]ethyl]heptane-1,7-diamine is sourced from PubChem (CID 140647478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).