tetrakis[3-(2-hydroxytetradecylamino)propyl]azanium

C68H144N5O4+ — CID 88928951

IUPACtetrakis[3-(2-hydroxytetradecylamino)propyl]azanium
SMILESCCCCCCCCCCCCC(O)CNCCC[N+](CCCNCC(O)CCCCCCCCCCCC)(CCCNCC(O)CCCCCCCCCCCC)CCCNCC(O)CCCCCCCCCCCC
InChIInChI=1S/C68H144N5O4/c1-5-9-13-17-21-25-29-33-37-41-49-65(74)61-69-53-45-57-73(58-46-54-70-62-66(75)50-42-38-34-30-26-22-18-14-10-6-2,59-47-55-71-63-67(76)51-43-39-35-31-27-23-19-15-11-7-3)60-48-56-72-64-68(77)52-44-40-36-32-28-24-20-16-12-8-4/h65-72,74-77H,5-64H2,1-4H3/q+1
InChIKeyFIWHEOPNRPKGJJ-UHFFFAOYSA-N
MW1095.93 g/mol
LogP16.41
Rot. Bonds68

About tetrakis[3-(2-hydroxytetradecylamino)propyl]azanium

tetrakis[3-(2-hydroxytetradecylamino)propyl]azanium (PubChem CID 88928951) has the molecular formula C68H144N5O4+ and a molecular weight of 1095.93 g/mol. Its IUPAC name is tetrakis[3-(2-hydroxytetradecylamino)propyl]azanium.

Molecular Properties

Compound Nametetrakis[3-(2-hydroxytetradecylamino)propyl]azanium
PubChem CID88928951
Molecular FormulaC68H144N5O4+
Molecular Weight1095.93 g/mol
Exact Mass1095.12
IUPAC Nametetrakis[3-(2-hydroxytetradecylamino)propyl]azanium
SMILESCCCCCCCCCCCCC(O)CNCCC[N+](CCCNCC(O)CCCCCCCCCCCC)(CCCNCC(O)CCCCCCCCCCCC)CCCNCC(O)CCCCCCCCCCCC
InChIInChI=1S/C68H144N5O4/c1-5-9-13-17-21-25-29-33-37-41-49-65(74)61-69-53-45-57-73(58-46-54-70-62-66(75)50-42-38-34-30-26-22-18-14-10-6-2,59-47-55-71-63-67(76)51-43-39-35-31-27-23-19-15-11-7-3)60-48-56-72-64-68(77)52-44-40-36-32-28-24-20-16-12-8-4/h65-72,74-77H,5-64H2,1-4H3/q+1
InChIKeyFIWHEOPNRPKGJJ-UHFFFAOYSA-N
XLogP16.41
TPSA129.04 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds68
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001095.93
LogP ≤ 516.41
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol
CID 21332395
1-(hexadecylamino)undecan-2-ol
CID 50915787
1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol
CID 21332422
1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide
CID 21332373
(2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol
CID 25129899
1-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol
CID 46200429
1-(propylamino)hexadecan-2-ol
CID 88695975
1-(2-hydroxyoctadecylamino)octadecan-2-ol
CID 87182048
1-[2-[2-[2-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]dodecan-2-ol
CID 165109724
1-(12-methyltridecylamino)undecan-2-ol
CID 87220932
1-(6-aminohexylamino)heptadecan-2-ol
CID 71383255
1-(ethylamino)octan-2-ol
CID 62774096

Frequently Asked Questions

What is the IUPAC name of tetrakis[3-(2-hydroxytetradecylamino)propyl]azanium?
The IUPAC name of tetrakis[3-(2-hydroxytetradecylamino)propyl]azanium (CID 88928951) is tetrakis[3-(2-hydroxytetradecylamino)propyl]azanium.
What is the SMILES notation for tetrakis[3-(2-hydroxytetradecylamino)propyl]azanium?
The canonical SMILES for tetrakis[3-(2-hydroxytetradecylamino)propyl]azanium is CCCCCCCCCCCCC(O)CNCCC[N+](CCCNCC(O)CCCCCCCCCCCC)(CCCNCC(O)CCCCCCCCCCCC)CCCNCC(O)CCCCCCCCCCCC.
What is the InChIKey of tetrakis[3-(2-hydroxytetradecylamino)propyl]azanium?
The InChIKey is FIWHEOPNRPKGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H144N5O4/c1-5-9-13-17-21-25-29-33-37-41-49-65(74)61-69-53-45-57-73(58-46-54-70-62-66(75)50-42-38-34-30-26-22-18-14-10-6-2,59-47-55-71-63-67(76)51-43-39-35-31-27-23-19-15-11-7-3)60-48-56-72-64-68(77)52-44-40-36-32-28-24-20-16-12-8-4/h65-72,74-77H,5-64H2,1-4H3/q+1.
What are the key properties of tetrakis[3-(2-hydroxytetradecylamino)propyl]azanium?
tetrakis[3-(2-hydroxytetradecylamino)propyl]azanium has a molecular weight of 1095.93 g/mol, XLogP of 16.41, 68 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis[3-(2-hydroxytetradecylamino)propyl]azanium is sourced from PubChem (CID 88928951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).