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

C92H217N31 — CID 59097400

IUPACN'-(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
SMILESCCN(CCCN(CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN
InChIInChI=1S/C92H217N31/c1-2-109(65-19-67-118(85-29-89-120(77-21-69-110(49-3-33-93)50-4-34-94)78-22-70-111(51-5-35-95)52-6-36-96)86-30-90-121(79-23-71-112(53-7-37-97)54-8-38-98)80-24-72-113(55-9-39-99)56-10-40-100)66-20-68-119(87-31-91-122(81-25-73-114(57-11-41-101)58-12-42-102)82-26-74-115(59-13-43-103)60-14-44-104)88-32-92-123(83-27-75-116(61-15-45-105)62-16-46-106)84-28-76-117(63-17-47-107)64-18-48-108/h2-108H2,1H3
InChIKeyRSFQMMJMWAHCOM-UHFFFAOYSA-N
MW1757.97 g/mol
LogP0.58
Rot. Bonds105

About 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

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 (PubChem CID 59097400) has the molecular formula C92H217N31 and a molecular weight of 1757.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN'-(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
PubChem CID59097400
Molecular FormulaC92H217N31
Molecular Weight1757.97 g/mol
Exact Mass1756.79
IUPAC NameN'-(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
SMILESCCN(CCCN(CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN
InChIInChI=1S/C92H217N31/c1-2-109(65-19-67-118(85-29-89-120(77-21-69-110(49-3-33-93)50-4-34-94)78-22-70-111(51-5-35-95)52-6-36-96)86-30-90-121(79-23-71-112(53-7-37-97)54-8-38-98)80-24-72-113(55-9-39-99)56-10-40-100)66-20-68-119(87-31-91-122(81-25-73-114(57-11-41-101)58-12-42-102)82-26-74-115(59-13-43-103)60-14-44-104)88-32-92-123(83-27-75-116(61-15-45-105)62-16-46-106)84-28-76-117(63-17-47-107)64-18-48-108/h2-108H2,1H3
InChIKeyRSFQMMJMWAHCOM-UHFFFAOYSA-N
XLogP0.58
TPSA464.92 Ų
H-Bond Donors16
H-Bond Acceptors31
Rotatable Bonds105
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001757.97
LogP ≤ 50.58
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1031

Analyze 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 with MolForge

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Related Compounds

N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine
CID 86127606
N'-(2-aminoethyl)-N'-ethylpropane-1,3-diamine
CID 55289486
N'-butyl-N'-ethylpropane-1,3-diamine
CID 16768199
N'-ethyl-N'-propylpropane-1,3-diamine
CID 43137206
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'-dibutylpropane-1,3-diamine;ethane
CID 170746351
N',N'-diethylpropane-1,3-diamine;docosane
CID 174486105
N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 43137192
N',N'-diethylnonane-1,9-diamine
CID 22055140
N'-[2-[amino(ethyl)amino]ethyl]-N'-(3-aminopropyl)propane-1,3-diamine
CID 88793333
N'-[3-[3-aminopropyl(octadecyl)amino]propyl]-N'-butylpropane-1,3-diamine;N'-butyl-N'-dodecylpropane-1,3-diamine
CID 162265791
N'-[2-[bis(2-aminoethyl)amino]ethyl]-N'-ethylethane-1,2-diamine
CID 157466747

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CCCN(CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(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'-(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?
The InChIKey is RSFQMMJMWAHCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H217N31/c1-2-109(65-19-67-118(85-29-89-120(77-21-69-110(49-3-33-93)50-4-34-94)78-22-70-111(51-5-35-95)52-6-36-96)86-30-90-121(79-23-71-112(53-7-37-97)54-8-38-98)80-24-72-113(55-9-39-99)56-10-40-100)66-20-68-119(87-31-91-122(81-25-73-114(57-11-41-101)58-12-42-102)82-26-74-115(59-13-43-103)60-14-44-104)88-32-92-123(83-27-75-116(61-15-45-105)62-16-46-106)84-28-76-117(63-17-47-107)64-18-48-108/h2-108H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1757.97 g/mol, XLogP of 0.58, 105 rotatable bonds, 16 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59097400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).