4-[3-(diethylamino)propyl]-4-[2-[ethoxy(diethyl)silyl]ethyl]-N,N,N',N'-tetraethylheptane-1,7-diamine

C30H67N3OSi — CID 140647582

IUPAC4-[3-(diethylamino)propyl]-4-[2-[ethoxy(diethyl)silyl]ethyl]-N,N,N',N'-tetraethylheptane-1,7-diamine
SMILESCCO[Si](CC)(CC)CCC(CCCN(CC)CC)(CCCN(CC)CC)CCCN(CC)CC
InChIInChI=1S/C30H67N3OSi/c1-10-31(11-2)26-19-22-30(23-20-27-32(12-3)13-4,24-21-28-33(14-5)15-6)25-29-35(17-8,18-9)34-16-7/h10-29H2,1-9H3
InChIKeyIEGBOSDADXQNNW-UHFFFAOYSA-N
MW513.97 g/mol
LogP7.75
Rot. Bonds25

About 4-[3-(diethylamino)propyl]-4-[2-[ethoxy(diethyl)silyl]ethyl]-N,N,N',N'-tetraethylheptane-1,7-diamine

4-[3-(diethylamino)propyl]-4-[2-[ethoxy(diethyl)silyl]ethyl]-N,N,N',N'-tetraethylheptane-1,7-diamine (PubChem CID 140647582) has the molecular formula C30H67N3OSi and a molecular weight of 513.97 g/mol. Its IUPAC name is 4-[3-(diethylamino)propyl]-4-[2-[ethoxy(diethyl)silyl]ethyl]-N,N,N',N'-tetraethylheptane-1,7-diamine.

Molecular Properties

Compound Name4-[3-(diethylamino)propyl]-4-[2-[ethoxy(diethyl)silyl]ethyl]-N,N,N',N'-tetraethylheptane-1,7-diamine
PubChem CID140647582
Molecular FormulaC30H67N3OSi
Molecular Weight513.97 g/mol
Exact Mass513.51
IUPAC Name4-[3-(diethylamino)propyl]-4-[2-[ethoxy(diethyl)silyl]ethyl]-N,N,N',N'-tetraethylheptane-1,7-diamine
SMILESCCO[Si](CC)(CC)CCC(CCCN(CC)CC)(CCCN(CC)CC)CCCN(CC)CC
InChIInChI=1S/C30H67N3OSi/c1-10-31(11-2)26-19-22-30(23-20-27-32(12-3)13-4,24-21-28-33(14-5)15-6)25-29-35(17-8,18-9)34-16-7/h10-29H2,1-9H3
InChIKeyIEGBOSDADXQNNW-UHFFFAOYSA-N
XLogP7.75
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.97
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-(2-trimethoxysilylethyl)heptane-1,7-diamine
CID 140647245
4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[ethyl(dimethoxy)silyl]ethyl]heptane-1,7-diamine
CID 140647478
3-[2-[diethoxy(ethyl)silyl]ethyl]-3-[2-(diethylamino)ethyl]-N,N,N',N'-tetraethylpentane-1,5-diamine
CID 142718312
4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[methoxy(dimethyl)silyl]ethyl]heptane-1,7-diamine
CID 140647664
4-[3-(dipropylamino)propyl]-4-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine
CID 140647594
4-[3-(dimethylamino)propyl]-4-[[ethoxy(diethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine
CID 140647576
N'-[3-(dimethylamino)propyl]-N'-[3-[ethoxy(diethyl)silyl]propyl]-N,N-dimethylpropane-1,3-diamine
CID 140647704
N'-[3-[diethoxy(ethyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine
CID 140647627
N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine
CID 142718377
N'-[3-[diethoxy(methyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine
CID 140647314
3-[[3-(diethylamino)propyl-[3-(diethylamino)propyl-[3-(diethylamino)propyl-[3-(diethylamino)propyl-[3-(diethylamino)propyl-ethoxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-ethoxy-methylsilyl]-N,N-diethylpropan-1-amine
CID 171623497
3-[2-(diethylamino)ethyl]-3-[[ethoxy(dimethyl)silyl]methyl]-N,N,N',N'-tetraethylpentane-1,5-diamine
CID 142718358

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)propyl]-4-[2-[ethoxy(diethyl)silyl]ethyl]-N,N,N',N'-tetraethylheptane-1,7-diamine?
The IUPAC name of 4-[3-(diethylamino)propyl]-4-[2-[ethoxy(diethyl)silyl]ethyl]-N,N,N',N'-tetraethylheptane-1,7-diamine (CID 140647582) is 4-[3-(diethylamino)propyl]-4-[2-[ethoxy(diethyl)silyl]ethyl]-N,N,N',N'-tetraethylheptane-1,7-diamine.
What is the SMILES notation for 4-[3-(diethylamino)propyl]-4-[2-[ethoxy(diethyl)silyl]ethyl]-N,N,N',N'-tetraethylheptane-1,7-diamine?
The canonical SMILES for 4-[3-(diethylamino)propyl]-4-[2-[ethoxy(diethyl)silyl]ethyl]-N,N,N',N'-tetraethylheptane-1,7-diamine is CCO[Si](CC)(CC)CCC(CCCN(CC)CC)(CCCN(CC)CC)CCCN(CC)CC.
What is the InChIKey of 4-[3-(diethylamino)propyl]-4-[2-[ethoxy(diethyl)silyl]ethyl]-N,N,N',N'-tetraethylheptane-1,7-diamine?
The InChIKey is IEGBOSDADXQNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H67N3OSi/c1-10-31(11-2)26-19-22-30(23-20-27-32(12-3)13-4,24-21-28-33(14-5)15-6)25-29-35(17-8,18-9)34-16-7/h10-29H2,1-9H3.
What are the key properties of 4-[3-(diethylamino)propyl]-4-[2-[ethoxy(diethyl)silyl]ethyl]-N,N,N',N'-tetraethylheptane-1,7-diamine?
4-[3-(diethylamino)propyl]-4-[2-[ethoxy(diethyl)silyl]ethyl]-N,N,N',N'-tetraethylheptane-1,7-diamine has a molecular weight of 513.97 g/mol, XLogP of 7.75, 25 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)propyl]-4-[2-[ethoxy(diethyl)silyl]ethyl]-N,N,N',N'-tetraethylheptane-1,7-diamine is sourced from PubChem (CID 140647582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).