N'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine

C20H47N3O3Si — CID 140647739

IUPACN'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine
SMILESCCN(CC)CCCN(CCCN(CC)CC)CCC[Si](OC)(OC)OC
InChIInChI=1S/C20H47N3O3Si/c1-8-21(9-2)15-12-17-23(18-13-16-22(10-3)11-4)19-14-20-27(24-5,25-6)26-7/h8-20H2,1-7H3
InChIKeyGTFPVXWGHCKTKK-UHFFFAOYSA-N
MW405.70 g/mol
LogP3.02
Rot. Bonds19

About N'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine

N'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine (PubChem CID 140647739) has the molecular formula C20H47N3O3Si and a molecular weight of 405.70 g/mol. Its IUPAC name is N'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine
PubChem CID140647739
Molecular FormulaC20H47N3O3Si
Molecular Weight405.70 g/mol
Exact Mass405.34
IUPAC NameN'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine
SMILESCCN(CC)CCCN(CCCN(CC)CC)CCC[Si](OC)(OC)OC
InChIInChI=1S/C20H47N3O3Si/c1-8-21(9-2)15-12-17-23(18-13-16-22(10-3)11-4)19-14-20-27(24-5,25-6)26-7/h8-20H2,1-7H3
InChIKeyGTFPVXWGHCKTKK-UHFFFAOYSA-N
XLogP3.02
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.70
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diethyl-N-methyl-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 163209900
4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-(2-trimethoxysilylethyl)heptane-1,7-diamine
CID 140647245
N-(2-propoxyethyl)-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 162116460
N'-[3-[diethyl(methoxy)silyl]propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
CID 140647738
N'-[3-[diethoxy(methyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine
CID 140647314
2-[3-[diethoxy(methoxy)silyl]propyl-(3-triethoxysilylpropyl)amino]ethanol
CID 159716952
N,N-diethyl-2-(2-trimethoxysilylethoxy)ethanamine
CID 90074439
N'-[3-[diethoxy(ethyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine
CID 140647627
triethylsilyl 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate
CID 88852370
3-[propyl(3-trimethoxysilylpropyl)amino]propanoic acid
CID 151472451
ethyl 3-[(3-ethoxy-3-oxopropyl)-(3-trimethoxysilylpropyl)amino]propanoate
CID 170745110
N,N-bis[2-(3-trimethoxysilylpropoxy)ethyl]propan-1-amine;N-(2-propoxyethyl)-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine;N-propyl-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 162116459

Frequently Asked Questions

What is the IUPAC name of N'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine?
The IUPAC name of N'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine (CID 140647739) is N'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine is CCN(CC)CCCN(CCCN(CC)CC)CCC[Si](OC)(OC)OC.
What is the InChIKey of N'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine?
The InChIKey is GTFPVXWGHCKTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H47N3O3Si/c1-8-21(9-2)15-12-17-23(18-13-16-22(10-3)11-4)19-14-20-27(24-5,25-6)26-7/h8-20H2,1-7H3.
What are the key properties of N'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine?
N'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine has a molecular weight of 405.70 g/mol, XLogP of 3.02, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine is sourced from PubChem (CID 140647739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).