tetrakis[3-[bis(2-hydroxytetradecyl)amino]propyl]azanium

C124H256N5O8+ — CID 88928952

IUPACtetrakis[3-[bis(2-hydroxytetradecyl)amino]propyl]azanium
SMILESCCCCCCCCCCCCC(O)CN(CCC[N+](CCCN(CC(O)CCCCCCCCCCCC)CC(O)CCCCCCCCCCCC)(CCCN(CC(O)CCCCCCCCCCCC)CC(O)CCCCCCCCCCCC)CCCN(CC(O)CCCCCCCCCCCC)CC(O)CCCCCCCCCCCC)CC(O)CCCCCCCCCCCC
InChIInChI=1S/C124H256N5O8/c1-9-17-25-33-41-49-57-65-73-81-93-117(130)109-125(110-118(131)94-82-74-66-58-50-42-34-26-18-10-2)101-89-105-129(106-90-102-126(111-119(132)95-83-75-67-59-51-43-35-27-19-11-3)112-120(133)96-84-76-68-60-52-44-36-28-20-12-4,107-91-103-127(113-121(134)97-85-77-69-61-53-45-37-29-21-13-5)114-122(135)98-86-78-70-62-54-46-38-30-22-14-6)108-92-104-128(115-123(136)99-87-79-71-63-55-47-39-31-23-15-7)116-124(137)100-88-80-72-64-56-48-40-32-24-16-8/h117-124,130-137H,9-116H2,1-8H3/q+1
InChIKeyWFTYBPMUVWINEA-UHFFFAOYSA-N
MW1945.44 g/mol
LogP33.95
Rot. Bonds120

About tetrakis[3-[bis(2-hydroxytetradecyl)amino]propyl]azanium

tetrakis[3-[bis(2-hydroxytetradecyl)amino]propyl]azanium (PubChem CID 88928952) has the molecular formula C124H256N5O8+ and a molecular weight of 1945.44 g/mol. Its IUPAC name is tetrakis[3-[bis(2-hydroxytetradecyl)amino]propyl]azanium.

Molecular Properties

Compound Nametetrakis[3-[bis(2-hydroxytetradecyl)amino]propyl]azanium
PubChem CID88928952
Molecular FormulaC124H256N5O8+
Molecular Weight1945.44 g/mol
Exact Mass1943.98
IUPAC Nametetrakis[3-[bis(2-hydroxytetradecyl)amino]propyl]azanium
SMILESCCCCCCCCCCCCC(O)CN(CCC[N+](CCCN(CC(O)CCCCCCCCCCCC)CC(O)CCCCCCCCCCCC)(CCCN(CC(O)CCCCCCCCCCCC)CC(O)CCCCCCCCCCCC)CCCN(CC(O)CCCCCCCCCCCC)CC(O)CCCCCCCCCCCC)CC(O)CCCCCCCCCCCC
InChIInChI=1S/C124H256N5O8/c1-9-17-25-33-41-49-57-65-73-81-93-117(130)109-125(110-118(131)94-82-74-66-58-50-42-34-26-18-10-2)101-89-105-129(106-90-102-126(111-119(132)95-83-75-67-59-51-43-35-27-19-11-3)112-120(133)96-84-76-68-60-52-44-36-28-20-12-4,107-91-103-127(113-121(134)97-85-77-69-61-53-45-37-29-21-13-5)114-122(135)98-86-78-70-62-54-46-38-30-22-14-6)108-92-104-128(115-123(136)99-87-79-71-63-55-47-39-31-23-15-7)116-124(137)100-88-80-72-64-56-48-40-32-24-16-8/h117-124,130-137H,9-116H2,1-8H3/q+1
InChIKeyWFTYBPMUVWINEA-UHFFFAOYSA-N
XLogP33.95
TPSA174.80 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds120
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001945.44
LogP ≤ 533.95
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

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

ethane;1-[[(2R)-2-hydroxydodecyl]-pentylamino]dodecan-2-ol
CID 144985798
1-(dibutylamino)undecan-2-ol
CID 101275149
1-[2-hydroxydodecyl(3-sulfanylpropyl)amino]dodecan-2-ol
CID 162693417
1-[4-hydroxybutyl(2-hydroxydodecyl)amino]dodecan-2-ol
CID 171428816
1-[3-(dimethylamino)propyl-(2-hydroxyoctadecyl)amino]nonadecan-2-ol
CID 86567590
1-[2-hydroxyethyl(2-hydroxyoctyl)amino]octan-2-ol
CID 101275199
1-[2-hydroxyoctadecyl(4-sulfanylbutyl)amino]octadecan-2-ol
CID 162693436
(2S)-1-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]dodecan-2-ol
CID 129387119
1-[2-hydroxyethyl(2-hydroxypropyl)amino]decan-2-ol
CID 155427539
4-[bis(2-hydroxyhexadecyl)amino]butanoic acid
CID 176659150
1-[3-aminopropyl-[13-[3-aminopropyl(2-hydroxytetradecyl)amino]tridecyl]amino]tetradecan-2-ol
CID 59095622
1-[3-aminopropyl-[12-[3-aminopropyl(2-hydroxyhexadecyl)amino]dodecyl]amino]hexadecan-2-ol
CID 71359787

Frequently Asked Questions

What is the IUPAC name of tetrakis[3-[bis(2-hydroxytetradecyl)amino]propyl]azanium?
The IUPAC name of tetrakis[3-[bis(2-hydroxytetradecyl)amino]propyl]azanium (CID 88928952) is tetrakis[3-[bis(2-hydroxytetradecyl)amino]propyl]azanium.
What is the SMILES notation for tetrakis[3-[bis(2-hydroxytetradecyl)amino]propyl]azanium?
The canonical SMILES for tetrakis[3-[bis(2-hydroxytetradecyl)amino]propyl]azanium is CCCCCCCCCCCCC(O)CN(CCC[N+](CCCN(CC(O)CCCCCCCCCCCC)CC(O)CCCCCCCCCCCC)(CCCN(CC(O)CCCCCCCCCCCC)CC(O)CCCCCCCCCCCC)CCCN(CC(O)CCCCCCCCCCCC)CC(O)CCCCCCCCCCCC)CC(O)CCCCCCCCCCCC.
What is the InChIKey of tetrakis[3-[bis(2-hydroxytetradecyl)amino]propyl]azanium?
The InChIKey is WFTYBPMUVWINEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C124H256N5O8/c1-9-17-25-33-41-49-57-65-73-81-93-117(130)109-125(110-118(131)94-82-74-66-58-50-42-34-26-18-10-2)101-89-105-129(106-90-102-126(111-119(132)95-83-75-67-59-51-43-35-27-19-11-3)112-120(133)96-84-76-68-60-52-44-36-28-20-12-4,107-91-103-127(113-121(134)97-85-77-69-61-53-45-37-29-21-13-5)114-122(135)98-86-78-70-62-54-46-38-30-22-14-6)108-92-104-128(115-123(136)99-87-79-71-63-55-47-39-31-23-15-7)116-124(137)100-88-80-72-64-56-48-40-32-24-16-8/h117-124,130-137H,9-116H2,1-8H3/q+1.
What are the key properties of tetrakis[3-[bis(2-hydroxytetradecyl)amino]propyl]azanium?
tetrakis[3-[bis(2-hydroxytetradecyl)amino]propyl]azanium has a molecular weight of 1945.44 g/mol, XLogP of 33.95, 120 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis[3-[bis(2-hydroxytetradecyl)amino]propyl]azanium is sourced from PubChem (CID 88928952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).