3-[3-azaniumylpropyl-[3-[3-[bis(3-azaniumylpropyl)amino]propyl-[3-[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]amino]propyl]amino]propylazanium

C88H224N30+16 — CID 102469282

IUPAC3-[3-azaniumylpropyl-[3-[3-[bis(3-azaniumylpropyl)amino]propyl-[3-[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]amino]propyl]amino]propylazanium
SMILES[NH3+]CCCN(CCC[NH3+])CCCN(CCCN(CCC[NH3+])CCC[NH3+])CCCN(CCCCN(CCCN(CCCN(CCC[NH3+])CCC[NH3+])CCCN(CCC[NH3+])CCC[NH3+])CCCN(CCCN(CCC[NH3+])CCC[NH3+])CCCN(CCC[NH3+])CCC[NH3+])CCCN(CCCN(CCC[NH3+])CCC[NH3+])CCCN(CCC[NH3+])CCC[NH3+]
InChIInChI=1S/C88H208N30/c89-31-3-49-107(50-4-32-90)69-23-81-115(82-24-70-108(51-5-33-91)52-6-34-92)77-19-65-105(66-20-78-116(83-25-71-109(53-7-35-93)54-8-36-94)84-26-72-110(55-9-37-95)56-10-38-96)47-1-2-48-106(67-21-79-117(85-27-73-111(57-11-39-97)58-12-40-98)86-28-74-112(59-13-41-99)60-14-42-100)68-22-80-118(87-29-75-113(61-15-43-101)62-16-44-102)88-30-76-114(63-17-45-103)64-18-46-104/h1-104H2/p+16
InChIKeyMVMZFIQOIDKSFP-UHFFFAOYSA-A
MW1702.97 g/mol
LogP-11.21
Rot. Bonds101

About 3-[3-azaniumylpropyl-[3-[3-[bis(3-azaniumylpropyl)amino]propyl-[3-[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]amino]propyl]amino]propylazanium

3-[3-azaniumylpropyl-[3-[3-[bis(3-azaniumylpropyl)amino]propyl-[3-[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]amino]propyl]amino]propylazanium (PubChem CID 102469282) has the molecular formula C88H224N30+16 and a molecular weight of 1702.97 g/mol. Its IUPAC name is 3-[3-azaniumylpropyl-[3-[3-[bis(3-azaniumylpropyl)amino]propyl-[3-[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]amino]propyl]amino]propylazanium.

Molecular Properties

Compound Name3-[3-azaniumylpropyl-[3-[3-[bis(3-azaniumylpropyl)amino]propyl-[3-[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]amino]propyl]amino]propylazanium
PubChem CID102469282
Molecular FormulaC88H224N30+16
Molecular Weight1702.97 g/mol
Exact Mass1701.84
IUPAC Name3-[3-azaniumylpropyl-[3-[3-[bis(3-azaniumylpropyl)amino]propyl-[3-[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]amino]propyl]amino]propylazanium
SMILES[NH3+]CCCN(CCC[NH3+])CCCN(CCCN(CCC[NH3+])CCC[NH3+])CCCN(CCCCN(CCCN(CCCN(CCC[NH3+])CCC[NH3+])CCCN(CCC[NH3+])CCC[NH3+])CCCN(CCCN(CCC[NH3+])CCC[NH3+])CCCN(CCC[NH3+])CCC[NH3+])CCCN(CCCN(CCC[NH3+])CCC[NH3+])CCCN(CCC[NH3+])CCC[NH3+]
InChIInChI=1S/C88H208N30/c89-31-3-49-107(50-4-32-90)69-23-81-115(82-24-70-108(51-5-33-91)52-6-34-92)77-19-65-105(66-20-78-116(83-25-71-109(53-7-35-93)54-8-36-94)84-26-72-110(55-9-37-95)56-10-38-96)47-1-2-48-106(67-21-79-117(85-27-73-111(57-11-39-97)58-12-40-98)86-28-74-112(59-13-41-99)60-14-42-100)68-22-80-118(87-29-75-113(61-15-43-101)62-16-44-102)88-30-76-114(63-17-45-103)64-18-46-104/h1-104H2/p+16
InChIKeyMVMZFIQOIDKSFP-UHFFFAOYSA-A
XLogP-11.21
TPSA487.60 Ų
H-Bond Donors16
H-Bond Acceptors14
Rotatable Bonds101
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001702.97
LogP ≤ 5-11.21
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 3-[3-azaniumylpropyl-[3-[3-[bis(3-azaniumylpropyl)amino]propyl-[3-[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]amino]propyl]amino]propylazanium with MolForge

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Related Compounds

3-[bis(2-hydroxyethyl)amino]propylazanium
CID 3282904
N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine
CID 154294870
N,N,N',N'-tetrakis[3-[bis(3-chloropropyl)amino]propyl]butane-1,4-diamine
CID 58300630
N,N-bis(3-aminopropyl)-N'-[3-[bis(3-aminopropyl)amino]propyl]-N'-[3-[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]butane-1,4-diamine
CID 118403322
N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N'-[2-[bis[2-[bis[2-(dimethylamino)ethyl]amino]ethyl]amino]ethyl]-N'-[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N,N,N',N'-tetrakis[2-(dimethylamino)ethyl]propane-1,3-diamine
CID 160549747
N,N-dioctyloctan-1-amine
CID 14227
N,N-dihexyloctan-1-amine
CID 21418080
N,N-dipentylpentan-1-amine;hydrate
CID 156801056
N-docosyl-N-icosyldocosan-1-amine
CID 23464225
N,N-dipentylhexadecan-1-amine
CID 139723811

Frequently Asked Questions

What is the IUPAC name of 3-[3-azaniumylpropyl-[3-[3-[bis(3-azaniumylpropyl)amino]propyl-[3-[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]amino]propyl]amino]propylazanium?
The IUPAC name of 3-[3-azaniumylpropyl-[3-[3-[bis(3-azaniumylpropyl)amino]propyl-[3-[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]amino]propyl]amino]propylazanium (CID 102469282) is 3-[3-azaniumylpropyl-[3-[3-[bis(3-azaniumylpropyl)amino]propyl-[3-[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]amino]propyl]amino]propylazanium.
What is the SMILES notation for 3-[3-azaniumylpropyl-[3-[3-[bis(3-azaniumylpropyl)amino]propyl-[3-[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]amino]propyl]amino]propylazanium?
The canonical SMILES for 3-[3-azaniumylpropyl-[3-[3-[bis(3-azaniumylpropyl)amino]propyl-[3-[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]amino]propyl]amino]propylazanium is [NH3+]CCCN(CCC[NH3+])CCCN(CCCN(CCC[NH3+])CCC[NH3+])CCCN(CCCCN(CCCN(CCCN(CCC[NH3+])CCC[NH3+])CCCN(CCC[NH3+])CCC[NH3+])CCCN(CCCN(CCC[NH3+])CCC[NH3+])CCCN(CCC[NH3+])CCC[NH3+])CCCN(CCCN(CCC[NH3+])CCC[NH3+])CCCN(CCC[NH3+])CCC[NH3+].
What is the InChIKey of 3-[3-azaniumylpropyl-[3-[3-[bis(3-azaniumylpropyl)amino]propyl-[3-[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]amino]propyl]amino]propylazanium?
The InChIKey is MVMZFIQOIDKSFP-UHFFFAOYSA-A. The full InChI is InChI=1S/C88H208N30/c89-31-3-49-107(50-4-32-90)69-23-81-115(82-24-70-108(51-5-33-91)52-6-34-92)77-19-65-105(66-20-78-116(83-25-71-109(53-7-35-93)54-8-36-94)84-26-72-110(55-9-37-95)56-10-38-96)47-1-2-48-106(67-21-79-117(85-27-73-111(57-11-39-97)58-12-40-98)86-28-74-112(59-13-41-99)60-14-42-100)68-22-80-118(87-29-75-113(61-15-43-101)62-16-44-102)88-30-76-114(63-17-45-103)64-18-46-104/h1-104H2/p+16.
What are the key properties of 3-[3-azaniumylpropyl-[3-[3-[bis(3-azaniumylpropyl)amino]propyl-[3-[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]amino]propyl]amino]propylazanium?
3-[3-azaniumylpropyl-[3-[3-[bis(3-azaniumylpropyl)amino]propyl-[3-[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]amino]propyl]amino]propylazanium has a molecular weight of 1702.97 g/mol, XLogP of -11.21, 101 rotatable bonds, 16 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-azaniumylpropyl-[3-[3-[bis(3-azaniumylpropyl)amino]propyl-[3-[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]amino]propyl]amino]propylazanium is sourced from PubChem (CID 102469282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).