4-(2-dihexoxysilyloxyethyl)-N,N-diethylheptan-1-amine

C25H55NO3Si — CID 123243139

IUPAC4-(2-dihexoxysilyloxyethyl)-N,N-diethylheptan-1-amine
SMILESCCCCCCO[SiH](OCCCCCC)OCCC(CCC)CCCN(CC)CC
InChIInChI=1S/C25H55NO3Si/c1-6-11-13-15-22-27-30(28-23-16-14-12-7-2)29-24-20-25(18-8-3)19-17-21-26(9-4)10-5/h25,30H,6-24H2,1-5H3
InChIKeyNLKLWKZSJORSKK-UHFFFAOYSA-N
MW445.81 g/mol
LogP6.84
Rot. Bonds24

About 4-(2-dihexoxysilyloxyethyl)-N,N-diethylheptan-1-amine

4-(2-dihexoxysilyloxyethyl)-N,N-diethylheptan-1-amine (PubChem CID 123243139) has the molecular formula C25H55NO3Si and a molecular weight of 445.81 g/mol. Its IUPAC name is 4-(2-dihexoxysilyloxyethyl)-N,N-diethylheptan-1-amine.

Molecular Properties

Compound Name4-(2-dihexoxysilyloxyethyl)-N,N-diethylheptan-1-amine
PubChem CID123243139
Molecular FormulaC25H55NO3Si
Molecular Weight445.81 g/mol
Exact Mass445.40
IUPAC Name4-(2-dihexoxysilyloxyethyl)-N,N-diethylheptan-1-amine
SMILESCCCCCCO[SiH](OCCCCCC)OCCC(CCC)CCCN(CC)CC
InChIInChI=1S/C25H55NO3Si/c1-6-11-13-15-22-27-30(28-23-16-14-12-7-2)29-24-20-25(18-8-3)19-17-21-26(9-4)10-5/h25,30H,6-24H2,1-5H3
InChIKeyNLKLWKZSJORSKK-UHFFFAOYSA-N
XLogP6.84
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.81
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

tri(undecoxy)silane
CID 123875078
N-ethyl-N-heptadecyl-9-octylheptadecan-1-amine
CID 168924760
3-[3-(diethylamino)propyl]pentadecan-1-ol
CID 118181955
15-propyl-1-(15-propylhentriacontoxy)hentriacontane
CID 57489427
2-[bis[2-(diethylamino)ethoxy]silyloxy]-N,N-diethylethanamine
CID 123680409
16-propylhexatriacontane
CID 91313942
13-propylheptacosane
CID 90872787
13-propylpentacosane
CID 21183364
9-propyltricosane
CID 54290141
6-propyltetracosane
CID 91039357
15-propylpentatriacontane
CID 91540514
12-propylhenpentacontane
CID 123984579

Frequently Asked Questions

What is the IUPAC name of 4-(2-dihexoxysilyloxyethyl)-N,N-diethylheptan-1-amine?
The IUPAC name of 4-(2-dihexoxysilyloxyethyl)-N,N-diethylheptan-1-amine (CID 123243139) is 4-(2-dihexoxysilyloxyethyl)-N,N-diethylheptan-1-amine.
What is the SMILES notation for 4-(2-dihexoxysilyloxyethyl)-N,N-diethylheptan-1-amine?
The canonical SMILES for 4-(2-dihexoxysilyloxyethyl)-N,N-diethylheptan-1-amine is CCCCCCO[SiH](OCCCCCC)OCCC(CCC)CCCN(CC)CC.
What is the InChIKey of 4-(2-dihexoxysilyloxyethyl)-N,N-diethylheptan-1-amine?
The InChIKey is NLKLWKZSJORSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H55NO3Si/c1-6-11-13-15-22-27-30(28-23-16-14-12-7-2)29-24-20-25(18-8-3)19-17-21-26(9-4)10-5/h25,30H,6-24H2,1-5H3.
What are the key properties of 4-(2-dihexoxysilyloxyethyl)-N,N-diethylheptan-1-amine?
4-(2-dihexoxysilyloxyethyl)-N,N-diethylheptan-1-amine has a molecular weight of 445.81 g/mol, XLogP of 6.84, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-dihexoxysilyloxyethyl)-N,N-diethylheptan-1-amine is sourced from PubChem (CID 123243139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).