N-[bis(diethylamino)-octadecylsilyl]-N-ethylethanamine

C30H67N3Si — CID 100951163

IUPACN-[bis(diethylamino)-octadecylsilyl]-N-ethylethanamine
SMILESCCCCCCCCCCCCCCCCCC[Si](N(CC)CC)(N(CC)CC)N(CC)CC
InChIInChI=1S/C30H67N3Si/c1-8-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34(31(9-2)10-3,32(11-4)12-5)33(13-6)14-7/h8-30H2,1-7H3
InChIKeyMSZRYFSPKWEANP-UHFFFAOYSA-N
MW497.97 g/mol
LogP9.21
Rot. Bonds26

About N-[bis(diethylamino)-octadecylsilyl]-N-ethylethanamine

N-[bis(diethylamino)-octadecylsilyl]-N-ethylethanamine (PubChem CID 100951163) has the molecular formula C30H67N3Si and a molecular weight of 497.97 g/mol. Its IUPAC name is N-[bis(diethylamino)-octadecylsilyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[bis(diethylamino)-octadecylsilyl]-N-ethylethanamine
PubChem CID100951163
Molecular FormulaC30H67N3Si
Molecular Weight497.97 g/mol
Exact Mass497.51
IUPAC NameN-[bis(diethylamino)-octadecylsilyl]-N-ethylethanamine
SMILESCCCCCCCCCCCCCCCCCC[Si](N(CC)CC)(N(CC)CC)N(CC)CC
InChIInChI=1S/C30H67N3Si/c1-8-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34(31(9-2)10-3,32(11-4)12-5)33(13-6)14-7/h8-30H2,1-7H3
InChIKeyMSZRYFSPKWEANP-UHFFFAOYSA-N
XLogP9.21
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.97
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[butyl-bis(diethylamino)silyl]-N-ethylethanamine
CID 87334490
N-[bis(dimethylamino)-undecylsilyl]-N-methylmethanamine
CID 159797093
butyl-dihexyl-octylsilane
CID 168803297
decyl-hexadecyl-methyl-octylsilane
CID 14474508
henoctacontane
CID 22086342
N-[dibutyl(methyl)silyl]-N-ethylethanamine
CID 87363603
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
CID 161246447
CID 161246447

Frequently Asked Questions

What is the IUPAC name of N-[bis(diethylamino)-octadecylsilyl]-N-ethylethanamine?
The IUPAC name of N-[bis(diethylamino)-octadecylsilyl]-N-ethylethanamine (CID 100951163) is N-[bis(diethylamino)-octadecylsilyl]-N-ethylethanamine.
What is the SMILES notation for N-[bis(diethylamino)-octadecylsilyl]-N-ethylethanamine?
The canonical SMILES for N-[bis(diethylamino)-octadecylsilyl]-N-ethylethanamine is CCCCCCCCCCCCCCCCCC[Si](N(CC)CC)(N(CC)CC)N(CC)CC.
What is the InChIKey of N-[bis(diethylamino)-octadecylsilyl]-N-ethylethanamine?
The InChIKey is MSZRYFSPKWEANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H67N3Si/c1-8-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34(31(9-2)10-3,32(11-4)12-5)33(13-6)14-7/h8-30H2,1-7H3.
What are the key properties of N-[bis(diethylamino)-octadecylsilyl]-N-ethylethanamine?
N-[bis(diethylamino)-octadecylsilyl]-N-ethylethanamine has a molecular weight of 497.97 g/mol, XLogP of 9.21, 26 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(diethylamino)-octadecylsilyl]-N-ethylethanamine is sourced from PubChem (CID 100951163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).