N-butyl-N-[2-[4-[8-[ethoxy(dimethyl)silyl]octyl]piperazin-1-yl]ethyl]butan-1-amine

C26H57N3OSi — CID 178023200

IUPACN-butyl-N-[2-[4-[8-[ethoxy(dimethyl)silyl]octyl]piperazin-1-yl]ethyl]butan-1-amine
SMILESCCCCN(CCCC)CCN1CCN(CCCCCCCC[Si](C)(C)OCC)CC1
InChIInChI=1S/C26H57N3OSi/c1-6-9-17-27(18-10-7-2)20-23-29-24-21-28(22-25-29)19-15-13-11-12-14-16-26-31(4,5)30-8-3/h6-26H2,1-5H3
InChIKeyZOLCWHVBHLXEBI-UHFFFAOYSA-N
MW455.85 g/mol
LogP6.09
Rot. Bonds20

About N-butyl-N-[2-[4-[8-[ethoxy(dimethyl)silyl]octyl]piperazin-1-yl]ethyl]butan-1-amine

N-butyl-N-[2-[4-[8-[ethoxy(dimethyl)silyl]octyl]piperazin-1-yl]ethyl]butan-1-amine (PubChem CID 178023200) has the molecular formula C26H57N3OSi and a molecular weight of 455.85 g/mol. Its IUPAC name is N-butyl-N-[2-[4-[8-[ethoxy(dimethyl)silyl]octyl]piperazin-1-yl]ethyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[2-[4-[8-[ethoxy(dimethyl)silyl]octyl]piperazin-1-yl]ethyl]butan-1-amine
PubChem CID178023200
Molecular FormulaC26H57N3OSi
Molecular Weight455.85 g/mol
Exact Mass455.43
IUPAC NameN-butyl-N-[2-[4-[8-[ethoxy(dimethyl)silyl]octyl]piperazin-1-yl]ethyl]butan-1-amine
SMILESCCCCN(CCCC)CCN1CCN(CCCCCCCC[Si](C)(C)OCC)CC1
InChIInChI=1S/C26H57N3OSi/c1-6-9-17-27(18-10-7-2)20-23-29-24-21-28(22-25-29)19-15-13-11-12-14-16-26-31(4,5)30-8-3/h6-26H2,1-5H3
InChIKeyZOLCWHVBHLXEBI-UHFFFAOYSA-N
XLogP6.09
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.85
LogP ≤ 56.09
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

N-[2-[4-[3-[methoxy(dimethyl)silyl]propyl]piperazin-1-yl]ethyl]-N-propylpropan-1-amine
CID 178023180
3-[ethoxy(dimethyl)silyl]-N,N-dipropylpropan-1-amine
CID 87204397
CID 178023178
CID 178023178
ethoxy-[5-[ethoxy(dimethyl)silyl]pentyl]-dimethylsilane
CID 153321939
ethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane
CID 153321945
N'-butyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 82892276
ethoxy-dimethyl-(3-piperazin-1-ylpropyl)silane
CID 68897887
N-[2-[4-[2-[2-(azacycloundec-1-yl)ethyl-hexylamino]ethyl]piperazin-1-yl]ethyl]-N-undecyldodecan-1-amine
CID 170754923
N-butyl-N-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]butan-1-amine
CID 174846213
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
N,N-dibutyl-8-[[8-(dibutylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine
CID 171623492

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-[4-[8-[ethoxy(dimethyl)silyl]octyl]piperazin-1-yl]ethyl]butan-1-amine?
The IUPAC name of N-butyl-N-[2-[4-[8-[ethoxy(dimethyl)silyl]octyl]piperazin-1-yl]ethyl]butan-1-amine (CID 178023200) is N-butyl-N-[2-[4-[8-[ethoxy(dimethyl)silyl]octyl]piperazin-1-yl]ethyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[2-[4-[8-[ethoxy(dimethyl)silyl]octyl]piperazin-1-yl]ethyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[2-[4-[8-[ethoxy(dimethyl)silyl]octyl]piperazin-1-yl]ethyl]butan-1-amine is CCCCN(CCCC)CCN1CCN(CCCCCCCC[Si](C)(C)OCC)CC1.
What is the InChIKey of N-butyl-N-[2-[4-[8-[ethoxy(dimethyl)silyl]octyl]piperazin-1-yl]ethyl]butan-1-amine?
The InChIKey is ZOLCWHVBHLXEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H57N3OSi/c1-6-9-17-27(18-10-7-2)20-23-29-24-21-28(22-25-29)19-15-13-11-12-14-16-26-31(4,5)30-8-3/h6-26H2,1-5H3.
What are the key properties of N-butyl-N-[2-[4-[8-[ethoxy(dimethyl)silyl]octyl]piperazin-1-yl]ethyl]butan-1-amine?
N-butyl-N-[2-[4-[8-[ethoxy(dimethyl)silyl]octyl]piperazin-1-yl]ethyl]butan-1-amine has a molecular weight of 455.85 g/mol, XLogP of 6.09, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-[4-[8-[ethoxy(dimethyl)silyl]octyl]piperazin-1-yl]ethyl]butan-1-amine is sourced from PubChem (CID 178023200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).