4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-(2-trimethoxysilylethyl)heptane-1,7-diamine

C27H61N3O3Si — CID 140647245

IUPAC4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-(2-trimethoxysilylethyl)heptane-1,7-diamine
SMILESCCN(CC)CCCC(CCCN(CC)CC)(CCCN(CC)CC)CC[Si](OC)(OC)OC
InChIInChI=1S/C27H61N3O3Si/c1-10-28(11-2)23-16-19-27(20-17-24-29(12-3)13-4,21-18-25-30(14-5)15-6)22-26-34(31-7,32-8)33-9/h10-26H2,1-9H3
InChIKeyMIMDBYONTRGYFH-UHFFFAOYSA-N
MW503.89 g/mol
LogP5.61
Rot. Bonds24

About 4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-(2-trimethoxysilylethyl)heptane-1,7-diamine

4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-(2-trimethoxysilylethyl)heptane-1,7-diamine (PubChem CID 140647245) has the molecular formula C27H61N3O3Si and a molecular weight of 503.89 g/mol. Its IUPAC name is 4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-(2-trimethoxysilylethyl)heptane-1,7-diamine.

Molecular Properties

Compound Name4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-(2-trimethoxysilylethyl)heptane-1,7-diamine
PubChem CID140647245
Molecular FormulaC27H61N3O3Si
Molecular Weight503.89 g/mol
Exact Mass503.45
IUPAC Name4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-(2-trimethoxysilylethyl)heptane-1,7-diamine
SMILESCCN(CC)CCCC(CCCN(CC)CC)(CCCN(CC)CC)CC[Si](OC)(OC)OC
InChIInChI=1S/C27H61N3O3Si/c1-10-28(11-2)23-16-19-27(20-17-24-29(12-3)13-4,21-18-25-30(14-5)15-6)22-26-34(31-7,32-8)33-9/h10-26H2,1-9H3
InChIKeyMIMDBYONTRGYFH-UHFFFAOYSA-N
XLogP5.61
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.89
LogP ≤ 55.61
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

4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[methoxy(dimethyl)silyl]ethyl]heptane-1,7-diamine
CID 140647664
4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[ethyl(dimethoxy)silyl]ethyl]heptane-1,7-diamine
CID 140647478
N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-trimethoxysilylethyl)pentane-1,5-diamine
CID 142718319
N,N'-diethyl-4-[3-[ethyl(propyl)amino]propyl]-N,N'-dipropyl-4-(trimethoxysilylmethyl)heptane-1,7-diamine
CID 140647551
N'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine
CID 140647739
4-[3-(diethylamino)propyl]-4-[2-[ethoxy(diethyl)silyl]ethyl]-N,N,N',N'-tetraethylheptane-1,7-diamine
CID 140647582
N',N'-diethyl-N-methyl-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 163209900
N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine
CID 142718377
N,N-diethyl-2-(2-trimethoxysilylethoxy)ethanamine
CID 90074439
4-[3-(dipropylamino)propyl]-4-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine
CID 140647594
3-[2-[diethoxy(ethyl)silyl]ethyl]-3-[2-(diethylamino)ethyl]-N,N,N',N'-tetraethylpentane-1,5-diamine
CID 142718312
4-[3-(dipropylamino)propyl]-4-[[methoxy(dimethyl)silyl]methyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine
CID 140647719

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-(2-trimethoxysilylethyl)heptane-1,7-diamine?
The IUPAC name of 4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-(2-trimethoxysilylethyl)heptane-1,7-diamine (CID 140647245) is 4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-(2-trimethoxysilylethyl)heptane-1,7-diamine.
What is the SMILES notation for 4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-(2-trimethoxysilylethyl)heptane-1,7-diamine?
The canonical SMILES for 4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-(2-trimethoxysilylethyl)heptane-1,7-diamine is CCN(CC)CCCC(CCCN(CC)CC)(CCCN(CC)CC)CC[Si](OC)(OC)OC.
What is the InChIKey of 4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-(2-trimethoxysilylethyl)heptane-1,7-diamine?
The InChIKey is MIMDBYONTRGYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H61N3O3Si/c1-10-28(11-2)23-16-19-27(20-17-24-29(12-3)13-4,21-18-25-30(14-5)15-6)22-26-34(31-7,32-8)33-9/h10-26H2,1-9H3.
What are the key properties of 4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-(2-trimethoxysilylethyl)heptane-1,7-diamine?
4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-(2-trimethoxysilylethyl)heptane-1,7-diamine has a molecular weight of 503.89 g/mol, XLogP of 5.61, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-(2-trimethoxysilylethyl)heptane-1,7-diamine is sourced from PubChem (CID 140647245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).