N'-[3-(dipropylamino)propyl]-N,N-dipropyl-N'-(2-triethoxysilylethyl)propane-1,3-diamine

C26H59N3O3Si — CID 140647743

IUPACN'-[3-(dipropylamino)propyl]-N,N-dipropyl-N'-(2-triethoxysilylethyl)propane-1,3-diamine
SMILESCCCN(CCC)CCCN(CCCN(CCC)CCC)CC[Si](OCC)(OCC)OCC
InChIInChI=1S/C26H59N3O3Si/c1-8-17-27(18-9-2)21-15-23-29(24-16-22-28(19-10-3)20-11-4)25-26-33(30-12-5,31-13-6)32-14-7/h8-26H2,1-7H3
InChIKeyLXSDEGFLXQYWSD-UHFFFAOYSA-N
MW489.86 g/mol
LogP5.36
Rot. Bonds25

About N'-[3-(dipropylamino)propyl]-N,N-dipropyl-N'-(2-triethoxysilylethyl)propane-1,3-diamine

N'-[3-(dipropylamino)propyl]-N,N-dipropyl-N'-(2-triethoxysilylethyl)propane-1,3-diamine (PubChem CID 140647743) has the molecular formula C26H59N3O3Si and a molecular weight of 489.86 g/mol. Its IUPAC name is N'-[3-(dipropylamino)propyl]-N,N-dipropyl-N'-(2-triethoxysilylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(dipropylamino)propyl]-N,N-dipropyl-N'-(2-triethoxysilylethyl)propane-1,3-diamine
PubChem CID140647743
Molecular FormulaC26H59N3O3Si
Molecular Weight489.86 g/mol
Exact Mass489.43
IUPAC NameN'-[3-(dipropylamino)propyl]-N,N-dipropyl-N'-(2-triethoxysilylethyl)propane-1,3-diamine
SMILESCCCN(CCC)CCCN(CCCN(CCC)CCC)CC[Si](OCC)(OCC)OCC
InChIInChI=1S/C26H59N3O3Si/c1-8-17-27(18-9-2)21-15-23-29(24-16-22-28(19-10-3)20-11-4)25-26-33(30-12-5,31-13-6)32-14-7/h8-26H2,1-7H3
InChIKeyLXSDEGFLXQYWSD-UHFFFAOYSA-N
XLogP5.36
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.86
LogP ≤ 55.36
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-(dipropylamino)propyl]-N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N,N-dipropylpropane-1,3-diamine
CID 140647654
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(3-triethoxysilylpropyl)propane-1,3-diamine
CID 140647406
3-[ethoxy(dimethyl)silyl]-N,N-dipropylpropan-1-amine
CID 87204397
3-[2-(dipropylamino)ethyl]-N,N,N',N'-tetrapropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine
CID 142718234
N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
CID 140647444
N'-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
CID 140647243
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,N-dibutyl-8-[[8-(dibutylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine
CID 171623492
4-[3-(dipropylamino)propyl]-4-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine
CID 140647594
2-[3-[diethoxy(methoxy)silyl]propyl-(3-triethoxysilylpropyl)amino]ethanol
CID 159716952
N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine
CID 142718377

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dipropylamino)propyl]-N,N-dipropyl-N'-(2-triethoxysilylethyl)propane-1,3-diamine?
The IUPAC name of N'-[3-(dipropylamino)propyl]-N,N-dipropyl-N'-(2-triethoxysilylethyl)propane-1,3-diamine (CID 140647743) is N'-[3-(dipropylamino)propyl]-N,N-dipropyl-N'-(2-triethoxysilylethyl)propane-1,3-diamine.
What is the SMILES notation for N'-[3-(dipropylamino)propyl]-N,N-dipropyl-N'-(2-triethoxysilylethyl)propane-1,3-diamine?
The canonical SMILES for N'-[3-(dipropylamino)propyl]-N,N-dipropyl-N'-(2-triethoxysilylethyl)propane-1,3-diamine is CCCN(CCC)CCCN(CCCN(CCC)CCC)CC[Si](OCC)(OCC)OCC.
What is the InChIKey of N'-[3-(dipropylamino)propyl]-N,N-dipropyl-N'-(2-triethoxysilylethyl)propane-1,3-diamine?
The InChIKey is LXSDEGFLXQYWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H59N3O3Si/c1-8-17-27(18-9-2)21-15-23-29(24-16-22-28(19-10-3)20-11-4)25-26-33(30-12-5,31-13-6)32-14-7/h8-26H2,1-7H3.
What are the key properties of N'-[3-(dipropylamino)propyl]-N,N-dipropyl-N'-(2-triethoxysilylethyl)propane-1,3-diamine?
N'-[3-(dipropylamino)propyl]-N,N-dipropyl-N'-(2-triethoxysilylethyl)propane-1,3-diamine has a molecular weight of 489.86 g/mol, XLogP of 5.36, 25 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dipropylamino)propyl]-N,N-dipropyl-N'-(2-triethoxysilylethyl)propane-1,3-diamine is sourced from PubChem (CID 140647743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).