3-[2-(dipropylamino)ethyl]-N,N,N',N'-tetrapropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine

C33H73N3O3Si — CID 142718234

IUPAC3-[2-(dipropylamino)ethyl]-N,N,N',N'-tetrapropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine
SMILESCCCN(CCC)CCC(CCN(CCC)CCC)(CCN(CCC)CCC)CC[Si](OCC)(OCC)OCC
InChIInChI=1S/C33H73N3O3Si/c1-10-23-34(24-11-2)29-19-33(20-30-35(25-12-3)26-13-4,21-31-36(27-14-5)28-15-6)22-32-40(37-16-7,38-17-8)39-18-9/h10-32H2,1-9H3
InChIKeyLKNZOADJXYSOMS-UHFFFAOYSA-N
MW588.05 g/mol
LogP7.95
Rot. Bonds30

About 3-[2-(dipropylamino)ethyl]-N,N,N',N'-tetrapropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine

3-[2-(dipropylamino)ethyl]-N,N,N',N'-tetrapropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine (PubChem CID 142718234) has the molecular formula C33H73N3O3Si and a molecular weight of 588.05 g/mol. Its IUPAC name is 3-[2-(dipropylamino)ethyl]-N,N,N',N'-tetrapropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine.

Molecular Properties

Compound Name3-[2-(dipropylamino)ethyl]-N,N,N',N'-tetrapropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine
PubChem CID142718234
Molecular FormulaC33H73N3O3Si
Molecular Weight588.05 g/mol
Exact Mass587.54
IUPAC Name3-[2-(dipropylamino)ethyl]-N,N,N',N'-tetrapropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine
SMILESCCCN(CCC)CCC(CCN(CCC)CCC)(CCN(CCC)CCC)CC[Si](OCC)(OCC)OCC
InChIInChI=1S/C33H73N3O3Si/c1-10-23-34(24-11-2)29-19-33(20-30-35(25-12-3)26-13-4,21-31-36(27-14-5)28-15-6)22-32-40(37-16-7,38-17-8)39-18-9/h10-32H2,1-9H3
InChIKeyLKNZOADJXYSOMS-UHFFFAOYSA-N
XLogP7.95
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds30
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.05
LogP ≤ 57.95
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,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine
CID 142718377
N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-trimethoxysilylethyl)pentane-1,5-diamine
CID 142718319
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
3-[2-[ethoxy(dimethyl)silyl]ethyl]-N,N'-dimethyl-3-[2-[methyl(propyl)amino]ethyl]-N,N'-dipropylpentane-1,5-diamine
CID 142718241
3-[2-[diethoxy(ethyl)silyl]ethyl]-3-[2-(diethylamino)ethyl]-N,N,N',N'-tetraethylpentane-1,5-diamine
CID 142718312
3-[ethoxy(dimethyl)silyl]-N,N-dipropylpropan-1-amine
CID 87204397
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(3-triethoxysilylpropyl)propane-1,3-diamine
CID 140647406
2-[2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethyl-(3-triethoxysilylpropyl)amino]ethanol
CID 165406159
N-(2-methoxyethyl)-3-triethoxysilyl-N-(3-triethoxysilylpropyl)propan-1-amine
CID 162775125
4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-(2-trimethoxysilylethyl)heptane-1,7-diamine
CID 140647245

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dipropylamino)ethyl]-N,N,N',N'-tetrapropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine?
The IUPAC name of 3-[2-(dipropylamino)ethyl]-N,N,N',N'-tetrapropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine (CID 142718234) is 3-[2-(dipropylamino)ethyl]-N,N,N',N'-tetrapropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine.
What is the SMILES notation for 3-[2-(dipropylamino)ethyl]-N,N,N',N'-tetrapropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine?
The canonical SMILES for 3-[2-(dipropylamino)ethyl]-N,N,N',N'-tetrapropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine is CCCN(CCC)CCC(CCN(CCC)CCC)(CCN(CCC)CCC)CC[Si](OCC)(OCC)OCC.
What is the InChIKey of 3-[2-(dipropylamino)ethyl]-N,N,N',N'-tetrapropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine?
The InChIKey is LKNZOADJXYSOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H73N3O3Si/c1-10-23-34(24-11-2)29-19-33(20-30-35(25-12-3)26-13-4,21-31-36(27-14-5)28-15-6)22-32-40(37-16-7,38-17-8)39-18-9/h10-32H2,1-9H3.
What are the key properties of 3-[2-(dipropylamino)ethyl]-N,N,N',N'-tetrapropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine?
3-[2-(dipropylamino)ethyl]-N,N,N',N'-tetrapropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine has a molecular weight of 588.05 g/mol, XLogP of 7.95, 30 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dipropylamino)ethyl]-N,N,N',N'-tetrapropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine is sourced from PubChem (CID 142718234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).