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

C89H210N30 — CID 118403322

IUPACN,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
SMILESNCCCN(CCCN)CCCCN(CCCN(CCCN)CCCN)CCCN(CCCCN(CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN
InChIInChI=1S/C89H210N30/c90-32-5-52-106(53-6-33-91)48-1-2-49-107(70-22-74-110(54-7-34-92)55-8-35-93)68-21-69-108(71-23-81-117(84-26-75-111(56-9-36-94)57-10-37-95)85-27-76-112(58-11-38-96)59-12-39-97)50-3-4-51-109(72-24-82-118(86-28-77-113(60-13-40-98)61-14-41-99)87-29-78-114(62-15-42-100)63-16-43-101)73-25-83-119(88-30-79-115(64-17-44-102)65-18-45-103)89-31-80-116(66-19-46-104)67-20-47-105/h1-105H2
InChIKeyMIUTWGBLEDDAMA-UHFFFAOYSA-N
MW1700.87 g/mol
LogP0.65
Rot. Bonds102

About 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

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 (PubChem CID 118403322) has the molecular formula C89H210N30 and a molecular weight of 1700.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID118403322
Molecular FormulaC89H210N30
Molecular Weight1700.87 g/mol
Exact Mass1699.74
IUPAC NameN,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
SMILESNCCCN(CCCN)CCCCN(CCCN(CCCN)CCCN)CCCN(CCCCN(CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN
InChIInChI=1S/C89H210N30/c90-32-5-52-106(53-6-33-91)48-1-2-49-107(70-22-74-110(54-7-34-92)55-8-35-93)68-21-69-108(71-23-81-117(84-26-75-111(56-9-36-94)57-10-37-95)85-27-76-112(58-11-38-96)59-12-39-97)50-3-4-51-109(72-24-82-118(86-28-77-113(60-13-40-98)61-14-41-99)87-29-78-114(62-15-42-100)63-16-43-101)73-25-83-119(88-30-79-115(64-17-44-102)65-18-45-103)89-31-80-116(66-19-46-104)67-20-47-105/h1-105H2
InChIKeyMIUTWGBLEDDAMA-UHFFFAOYSA-N
XLogP0.65
TPSA461.68 Ų
H-Bond Donors16
H-Bond Acceptors30
Rotatable Bonds102
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001700.87
LogP ≤ 50.65
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

methane;N,N,N',N'-tetrakis(3-aminopropyl)butane-1,4-diamine
CID 158129365
N,N,N',N'-tetrakis(3-aminopropyl)decane-1,10-diamine
CID 87383613
N',N'-bis(6-aminohexyl)hexane-1,6-diamine
CID 21260857
N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[3-[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl-[3-[3-[bis[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl]amino]propyl-ethylamino]propyl]amino]propyl]amino]propyl]propane-1,3-diamine
CID 59097400
N'-[3-[3-aminopropyl(octadecyl)amino]propyl]-N'-butylpropane-1,3-diamine;N'-butyl-N'-dodecylpropane-1,3-diamine
CID 162265791
N'-(3-aminopropyl)-N'-dodecylpropane-1,3-diamine
CID 159685890
N',N'-diheptylpropane-1,3-diamine
CID 22251174
N-(7-aminoheptyl)-N'-(3-aminopropyl)-N-[3-(3-aminopropylamino)propyl]-N'-[3-[bis(7-aminoheptyl)amino]propyl]undecane-1,11-diamine
CID 58309879
N',N'-dibutylpropane-1,3-diamine;ethane
CID 170746351
N',N'-bis(2-bromoethyl)propane-1,3-diamine;dihydrobromide
CID 170557636
2-[bis(3-aminopropyl)amino]ethanol
CID 19359070
N'-(3-aminopropyl)-N'-hexylbutane-1,4-diamine
CID 10955355

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is NCCCN(CCCN)CCCCN(CCCN(CCCN)CCCN)CCCN(CCCCN(CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN.
What is the InChIKey of 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?
The InChIKey is MIUTWGBLEDDAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H210N30/c90-32-5-52-106(53-6-33-91)48-1-2-49-107(70-22-74-110(54-7-34-92)55-8-35-93)68-21-69-108(71-23-81-117(84-26-75-111(56-9-36-94)57-10-37-95)85-27-76-112(58-11-38-96)59-12-39-97)50-3-4-51-109(72-24-82-118(86-28-77-113(60-13-40-98)61-14-41-99)87-29-78-114(62-15-42-100)63-16-43-101)73-25-83-119(88-30-79-115(64-17-44-102)65-18-45-103)89-31-80-116(66-19-46-104)67-20-47-105/h1-105H2.
What are the key properties of 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?
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 has a molecular weight of 1700.87 g/mol, XLogP of 0.65, 102 rotatable bonds, 16 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118403322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).