N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(3-triethoxysilylpropyl)propane-1,3-diamine

C19H45N3O3Si — CID 140647406

IUPACN'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(3-triethoxysilylpropyl)propane-1,3-diamine
SMILESCCO[Si](CCCN(CCCN(C)C)CCCN(C)C)(OCC)OCC
InChIInChI=1S/C19H45N3O3Si/c1-8-23-26(24-9-2,25-10-3)19-13-18-22(16-11-14-20(4)5)17-12-15-21(6)7/h8-19H2,1-7H3
InChIKeyBCASPCURGYOSDN-UHFFFAOYSA-N
MW391.67 g/mol
LogP2.63
Rot. Bonds18

About N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(3-triethoxysilylpropyl)propane-1,3-diamine

N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(3-triethoxysilylpropyl)propane-1,3-diamine (PubChem CID 140647406) has the molecular formula C19H45N3O3Si and a molecular weight of 391.67 g/mol. Its IUPAC name is N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(3-triethoxysilylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(3-triethoxysilylpropyl)propane-1,3-diamine
PubChem CID140647406
Molecular FormulaC19H45N3O3Si
Molecular Weight391.67 g/mol
Exact Mass391.32
IUPAC NameN'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(3-triethoxysilylpropyl)propane-1,3-diamine
SMILESCCO[Si](CCCN(CCCN(C)C)CCCN(C)C)(OCC)OCC
InChIInChI=1S/C19H45N3O3Si/c1-8-23-26(24-9-2,25-10-3)19-13-18-22(16-11-14-20(4)5)17-12-15-21(6)7/h8-19H2,1-7H3
InChIKeyBCASPCURGYOSDN-UHFFFAOYSA-N
XLogP2.63
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.67
LogP ≤ 52.63
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'-[3-(dimethylamino)propyl]-N'-[3-[ethoxy(diethyl)silyl]propyl]-N,N-dimethylpropane-1,3-diamine
CID 140647704
N-(2-methoxyethyl)-3-triethoxysilyl-N-(3-triethoxysilylpropyl)propan-1-amine
CID 162775125
2-[2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethyl-(3-triethoxysilylpropyl)amino]ethanol
CID 165406159
N'-[3-(dipropylamino)propyl]-N,N-dipropyl-N'-(2-triethoxysilylethyl)propane-1,3-diamine
CID 140647743
2-[3-[diethoxy(methoxy)silyl]propyl-(3-triethoxysilylpropyl)amino]ethanol
CID 159716952
3-[3-[3-[3-(dimethylamino)propoxy-diethoxysilyl]propyltetrasulfanyl]propyl-diethoxysilyl]oxy-N,N-dimethylpropan-1-amine
CID 87342465
N-ethoxy-N-silyl-3-triethoxysilylpropan-1-amine
CID 173146503
N'-[3-[diethyl(methoxy)silyl]propyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
CID 140647262
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
3-[bis[2-(didodecylamino)ethoxy]-ethoxysilyl]propane-1-thiol
CID 159134516
N,N-dimethyl-2-triethoxysilylethanamine;N,N-dimethyl-3-triethoxysilylpropan-1-amine;N,N-dimethyl-3-trihydroxysilylpropan-1-amine;3-[ethoxy(dimethoxy)silyl]-N,N-dimethylpropan-1-amine;2-[ethoxy(dimethoxy)silyl]ethanamine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;methane;2-triethoxysilylethanamine;3-triethoxysilylpropan-1-amine;2-trihydroxysilylethanamine;3-trihydroxysilylpropan-1-amine
CID 163427251
N,N-bis(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine
CID 19379542

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(3-triethoxysilylpropyl)propane-1,3-diamine?
The IUPAC name of N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(3-triethoxysilylpropyl)propane-1,3-diamine (CID 140647406) is N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(3-triethoxysilylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(3-triethoxysilylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(3-triethoxysilylpropyl)propane-1,3-diamine is CCO[Si](CCCN(CCCN(C)C)CCCN(C)C)(OCC)OCC.
What is the InChIKey of N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(3-triethoxysilylpropyl)propane-1,3-diamine?
The InChIKey is BCASPCURGYOSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H45N3O3Si/c1-8-23-26(24-9-2,25-10-3)19-13-18-22(16-11-14-20(4)5)17-12-15-21(6)7/h8-19H2,1-7H3.
What are the key properties of N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(3-triethoxysilylpropyl)propane-1,3-diamine?
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(3-triethoxysilylpropyl)propane-1,3-diamine has a molecular weight of 391.67 g/mol, XLogP of 2.63, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(3-triethoxysilylpropyl)propane-1,3-diamine is sourced from PubChem (CID 140647406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).