N'-[3-[diethoxy(methyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine

C22H51N3O2Si — CID 140647314

IUPACN'-[3-[diethoxy(methyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine
SMILESCCO[Si](C)(CCCN(CCCN(CC)CC)CCCN(CC)CC)OCC
InChIInChI=1S/C22H51N3O2Si/c1-8-23(9-2)17-14-19-25(20-15-18-24(10-3)11-4)21-16-22-28(7,26-12-5)27-13-6/h8-22H2,1-7H3
InChIKeyDGRKKGQAXHBFCA-UHFFFAOYSA-N
MW417.76 g/mol
LogP4.29
Rot. Bonds20

About N'-[3-[diethoxy(methyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine

N'-[3-[diethoxy(methyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine (PubChem CID 140647314) has the molecular formula C22H51N3O2Si and a molecular weight of 417.76 g/mol. Its IUPAC name is N'-[3-[diethoxy(methyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-[diethoxy(methyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine
PubChem CID140647314
Molecular FormulaC22H51N3O2Si
Molecular Weight417.76 g/mol
Exact Mass417.38
IUPAC NameN'-[3-[diethoxy(methyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine
SMILESCCO[Si](C)(CCCN(CCCN(CC)CC)CCCN(CC)CC)OCC
InChIInChI=1S/C22H51N3O2Si/c1-8-23(9-2)17-14-19-25(20-15-18-24(10-3)11-4)21-16-22-28(7,26-12-5)27-13-6/h8-22H2,1-7H3
InChIKeyDGRKKGQAXHBFCA-UHFFFAOYSA-N
XLogP4.29
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.76
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[3-[diethoxy(methyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[3-(diethylamino)propyl-[3-(diethylamino)propyl-[3-(diethylamino)propyl-[3-(diethylamino)propyl-[3-(diethylamino)propyl-ethoxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-ethoxy-methylsilyl]-N,N-diethylpropan-1-amine
CID 171623497
3-[2-[diethoxy(methyl)silyl]ethoxy]-N,N-diethylpropan-1-amine
CID 90074831
N'-[3-[diethoxy(ethyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine
CID 140647627
N-[3-[diethoxy(methyl)silyl]propyl]-N'-(2-ethoxyethyl)-N-ethyl-N'-trimethylsilylethane-1,2-diamine
CID 87069481
triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]propanoate
CID 88852037
N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
CID 140647444
N'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine
CID 140647739
3-[ethoxy(dimethyl)silyl]-N,N-dipropylpropan-1-amine
CID 87204397
[tert-butyl(dimethyl)silyl] 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]propanoate
CID 88852109
triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]-2-methylpropanoate
CID 88852273
4-[diethoxy(methyl)silyl]-N,N-bis(trimethylsilyl)butan-1-amine
CID 87559726
N'-[3-(dipropylamino)propyl]-N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N,N-dipropylpropane-1,3-diamine
CID 140647654

Frequently Asked Questions

What is the IUPAC name of N'-[3-[diethoxy(methyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine?
The IUPAC name of N'-[3-[diethoxy(methyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine (CID 140647314) is N'-[3-[diethoxy(methyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-[diethoxy(methyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine?
The canonical SMILES for N'-[3-[diethoxy(methyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine is CCO[Si](C)(CCCN(CCCN(CC)CC)CCCN(CC)CC)OCC.
What is the InChIKey of N'-[3-[diethoxy(methyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine?
The InChIKey is DGRKKGQAXHBFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H51N3O2Si/c1-8-23(9-2)17-14-19-25(20-15-18-24(10-3)11-4)21-16-22-28(7,26-12-5)27-13-6/h8-22H2,1-7H3.
What are the key properties of N'-[3-[diethoxy(methyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine?
N'-[3-[diethoxy(methyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine has a molecular weight of 417.76 g/mol, XLogP of 4.29, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[diethoxy(methyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine is sourced from PubChem (CID 140647314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).