N-ethyl-N'-[[ethyl(dimethoxy)silyl]methyl]-N'-[3-[ethyl(methyl)amino]propyl]-N-methylpropane-1,3-diamine

C17H41N3O2Si — CID 140647529

IUPACN-ethyl-N'-[[ethyl(dimethoxy)silyl]methyl]-N'-[3-[ethyl(methyl)amino]propyl]-N-methylpropane-1,3-diamine
SMILESCCN(C)CCCN(CCCN(C)CC)C[Si](CC)(OC)OC
InChIInChI=1S/C17H41N3O2Si/c1-8-18(4)13-11-15-20(16-12-14-19(5)9-2)17-23(10-3,21-6)22-7/h8-17H2,1-7H3
InChIKeyFQUGCXVKHCIYCO-UHFFFAOYSA-N
MW347.62 g/mol
LogP2.27
Rot. Bonds15

About N-ethyl-N'-[[ethyl(dimethoxy)silyl]methyl]-N'-[3-[ethyl(methyl)amino]propyl]-N-methylpropane-1,3-diamine

N-ethyl-N'-[[ethyl(dimethoxy)silyl]methyl]-N'-[3-[ethyl(methyl)amino]propyl]-N-methylpropane-1,3-diamine (PubChem CID 140647529) has the molecular formula C17H41N3O2Si and a molecular weight of 347.62 g/mol. Its IUPAC name is N-ethyl-N'-[[ethyl(dimethoxy)silyl]methyl]-N'-[3-[ethyl(methyl)amino]propyl]-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[[ethyl(dimethoxy)silyl]methyl]-N'-[3-[ethyl(methyl)amino]propyl]-N-methylpropane-1,3-diamine
PubChem CID140647529
Molecular FormulaC17H41N3O2Si
Molecular Weight347.62 g/mol
Exact Mass347.30
IUPAC NameN-ethyl-N'-[[ethyl(dimethoxy)silyl]methyl]-N'-[3-[ethyl(methyl)amino]propyl]-N-methylpropane-1,3-diamine
SMILESCCN(C)CCCN(CCCN(C)CC)C[Si](CC)(OC)OC
InChIInChI=1S/C17H41N3O2Si/c1-8-18(4)13-11-15-20(16-12-14-19(5)9-2)17-23(10-3,21-6)22-7/h8-17H2,1-7H3
InChIKeyFQUGCXVKHCIYCO-UHFFFAOYSA-N
XLogP2.27
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.62
LogP ≤ 52.27
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

N'-[[dimethoxy(methyl)silyl]methyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
CID 140647371
N,N'-diethyl-2-[[ethyl(dimethoxy)silyl]methyl]-2-[[ethyl(methyl)amino]methyl]-N,N'-dimethylpropane-1,3-diamine
CID 140647388
4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[ethyl(dimethoxy)silyl]ethyl]heptane-1,7-diamine
CID 140647478
N'-ethyl-N,N,N'-trimethylpropane-1,3-diamine;propane
CID 142350934
ethane;N-ethyl-N-methylpentan-1-amine
CID 142145247
4-[[diethoxy(ethyl)silyl]methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine
CID 140647325
N'-[2-(ethyl-methoxy-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
CID 140647449
N-[3-[ethyl(dimethoxy)silyl]propyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 142740314
N',N'-diethyl-N-methyl-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 163209900
ethane;N-ethyl-N'-(4-methoxybutyl)-N,N'-dimethylethane-1,2-diamine;methoxyethane
CID 177247615
N'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine
CID 140647739
N'-[3-[diethyl(methoxy)silyl]propyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
CID 140647262

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[[ethyl(dimethoxy)silyl]methyl]-N'-[3-[ethyl(methyl)amino]propyl]-N-methylpropane-1,3-diamine?
The IUPAC name of N-ethyl-N'-[[ethyl(dimethoxy)silyl]methyl]-N'-[3-[ethyl(methyl)amino]propyl]-N-methylpropane-1,3-diamine (CID 140647529) is N-ethyl-N'-[[ethyl(dimethoxy)silyl]methyl]-N'-[3-[ethyl(methyl)amino]propyl]-N-methylpropane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-[[ethyl(dimethoxy)silyl]methyl]-N'-[3-[ethyl(methyl)amino]propyl]-N-methylpropane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-[[ethyl(dimethoxy)silyl]methyl]-N'-[3-[ethyl(methyl)amino]propyl]-N-methylpropane-1,3-diamine is CCN(C)CCCN(CCCN(C)CC)C[Si](CC)(OC)OC.
What is the InChIKey of N-ethyl-N'-[[ethyl(dimethoxy)silyl]methyl]-N'-[3-[ethyl(methyl)amino]propyl]-N-methylpropane-1,3-diamine?
The InChIKey is FQUGCXVKHCIYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H41N3O2Si/c1-8-18(4)13-11-15-20(16-12-14-19(5)9-2)17-23(10-3,21-6)22-7/h8-17H2,1-7H3.
What are the key properties of N-ethyl-N'-[[ethyl(dimethoxy)silyl]methyl]-N'-[3-[ethyl(methyl)amino]propyl]-N-methylpropane-1,3-diamine?
N-ethyl-N'-[[ethyl(dimethoxy)silyl]methyl]-N'-[3-[ethyl(methyl)amino]propyl]-N-methylpropane-1,3-diamine has a molecular weight of 347.62 g/mol, XLogP of 2.27, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[[ethyl(dimethoxy)silyl]methyl]-N'-[3-[ethyl(methyl)amino]propyl]-N-methylpropane-1,3-diamine is sourced from PubChem (CID 140647529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).