N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine

C30H67N3O3Si — CID 142718377

IUPACN,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine
SMILESCCCN(CC)CCC(CCN(CC)CCC)(CCN(CC)CCC)CC[Si](OCC)(OCC)OCC
InChIInChI=1S/C30H67N3O3Si/c1-10-23-31(13-4)26-19-30(20-27-32(14-5)24-11-2,21-28-33(15-6)25-12-3)22-29-37(34-16-7,35-17-8)36-18-9/h10-29H2,1-9H3
InChIKeyIZDSHNARQZJLSD-UHFFFAOYSA-N
MW545.97 g/mol
LogP6.78
Rot. Bonds27

About N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine

N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine (PubChem CID 142718377) has the molecular formula C30H67N3O3Si and a molecular weight of 545.97 g/mol. Its IUPAC name is N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine
PubChem CID142718377
Molecular FormulaC30H67N3O3Si
Molecular Weight545.97 g/mol
Exact Mass545.50
IUPAC NameN,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine
SMILESCCCN(CC)CCC(CCN(CC)CCC)(CCN(CC)CCC)CC[Si](OCC)(OCC)OCC
InChIInChI=1S/C30H67N3O3Si/c1-10-23-31(13-4)26-19-30(20-27-32(14-5)24-11-2,21-28-33(15-6)25-12-3)22-29-37(34-16-7,35-17-8)36-18-9/h10-29H2,1-9H3
InChIKeyIZDSHNARQZJLSD-UHFFFAOYSA-N
XLogP6.78
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds27
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.97
LogP ≤ 56.78
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

3-[2-(dipropylamino)ethyl]-N,N,N',N'-tetrapropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine
CID 142718234
N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-trimethoxysilylethyl)pentane-1,5-diamine
CID 142718319
3-[2-[diethoxy(ethyl)silyl]ethyl]-3-[2-(diethylamino)ethyl]-N,N,N',N'-tetraethylpentane-1,5-diamine
CID 142718312
3-[2-[ethoxy(dimethyl)silyl]ethyl]-N,N'-dimethyl-3-[2-[methyl(propyl)amino]ethyl]-N,N'-dipropylpentane-1,5-diamine
CID 142718241
N'-[3-(dipropylamino)propyl]-N,N-dipropyl-N'-(2-triethoxysilylethyl)propane-1,3-diamine
CID 140647743
3-[2-(dipropylamino)ethyl]-3-[2-[methoxy(dimethyl)silyl]ethyl]-N,N,N',N'-tetrapropylpentane-1,5-diamine
CID 142718275
4-[3-(dipropylamino)propyl]-4-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine
CID 140647594
4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-(2-trimethoxysilylethyl)heptane-1,7-diamine
CID 140647245
3-[2-(diethylamino)ethyl]-3-[[ethoxy(dimethyl)silyl]methyl]-N,N,N',N'-tetraethylpentane-1,5-diamine
CID 142718358
N,N'-diethyl-3-[[ethyl(dimethoxy)silyl]methyl]-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropylpentane-1,5-diamine
CID 142718352
4-[3-(diethylamino)propyl]-4-[2-[ethoxy(diethyl)silyl]ethyl]-N,N,N',N'-tetraethylheptane-1,7-diamine
CID 140647582
2-[[ethoxy(dimethyl)silyl]methyl]-N,N'-diethyl-2-[[ethyl(propyl)amino]methyl]-N,N'-dipropylpropane-1,3-diamine
CID 140647426

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine?
The IUPAC name of N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine (CID 142718377) is N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine.
What is the SMILES notation for N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine?
The canonical SMILES for N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine is CCCN(CC)CCC(CCN(CC)CCC)(CCN(CC)CCC)CC[Si](OCC)(OCC)OCC.
What is the InChIKey of N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine?
The InChIKey is IZDSHNARQZJLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H67N3O3Si/c1-10-23-31(13-4)26-19-30(20-27-32(14-5)24-11-2,21-28-33(15-6)25-12-3)22-29-37(34-16-7,35-17-8)36-18-9/h10-29H2,1-9H3.
What are the key properties of N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine?
N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine has a molecular weight of 545.97 g/mol, XLogP of 6.78, 27 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine is sourced from PubChem (CID 142718377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).