N-[2-[bis[3-[bis(2-morpholin-4-ylethyl)amino]propyl]amino]ethyl]-N-[3-[bis(2-morpholin-4-ylethyl)amino]propyl]-N',N'-bis(2-morpholin-4-ylethyl)propane-1,3-diamine

C62H124N14O8 — CID 58592019

IUPACN-[2-[bis[3-[bis(2-morpholin-4-ylethyl)amino]propyl]amino]ethyl]-N-[3-[bis(2-morpholin-4-ylethyl)amino]propyl]-N',N'-bis(2-morpholin-4-ylethyl)propane-1,3-diamine
SMILESC(CN(CCCN(CCN1CCOCC1)CCN1CCOCC1)CCN(CCCN(CCN1CCOCC1)CCN1CCOCC1)CCCN(CCN1CCOCC1)CCN1CCOCC1)CN(CCN1CCOCC1)CCN1CCOCC1
InChIInChI=1S/C62H124N14O8/c1(9-65(15-23-69-31-47-77-48-32-69)16-24-70-33-49-78-50-34-70)5-63(6-2-10-66(17-25-71-35-51-79-52-36-71)18-26-72-37-53-80-54-38-72)13-14-64(7-3-11-67(19-27-73-39-55-81-56-40-73)20-28-74-41-57-82-58-42-74)8-4-12-68(21-29-75-43-59-83-60-44-75)22-30-76-45-61-84-62-46-76/h1-62H2
InChIKeyPRZRROPVKXHLFG-UHFFFAOYSA-N
MW1193.76 g/mol
LogP-0.98
Rot. Bonds43

About N-[2-[bis[3-[bis(2-morpholin-4-ylethyl)amino]propyl]amino]ethyl]-N-[3-[bis(2-morpholin-4-ylethyl)amino]propyl]-N',N'-bis(2-morpholin-4-ylethyl)propane-1,3-diamine

N-[2-[bis[3-[bis(2-morpholin-4-ylethyl)amino]propyl]amino]ethyl]-N-[3-[bis(2-morpholin-4-ylethyl)amino]propyl]-N',N'-bis(2-morpholin-4-ylethyl)propane-1,3-diamine (PubChem CID 58592019) has the molecular formula C62H124N14O8 and a molecular weight of 1193.76 g/mol. Its IUPAC name is N-[2-[bis[3-[bis(2-morpholin-4-ylethyl)amino]propyl]amino]ethyl]-N-[3-[bis(2-morpholin-4-ylethyl)amino]propyl]-N',N'-bis(2-morpholin-4-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-[2-[bis[3-[bis(2-morpholin-4-ylethyl)amino]propyl]amino]ethyl]-N-[3-[bis(2-morpholin-4-ylethyl)amino]propyl]-N',N'-bis(2-morpholin-4-ylethyl)propane-1,3-diamine
PubChem CID58592019
Molecular FormulaC62H124N14O8
Molecular Weight1193.76 g/mol
Exact Mass1192.97
IUPAC NameN-[2-[bis[3-[bis(2-morpholin-4-ylethyl)amino]propyl]amino]ethyl]-N-[3-[bis(2-morpholin-4-ylethyl)amino]propyl]-N',N'-bis(2-morpholin-4-ylethyl)propane-1,3-diamine
SMILESC(CN(CCCN(CCN1CCOCC1)CCN1CCOCC1)CCN(CCCN(CCN1CCOCC1)CCN1CCOCC1)CCCN(CCN1CCOCC1)CCN1CCOCC1)CN(CCN1CCOCC1)CCN1CCOCC1
InChIInChI=1S/C62H124N14O8/c1(9-65(15-23-69-31-47-77-48-32-69)16-24-70-33-49-78-50-34-70)5-63(6-2-10-66(17-25-71-35-51-79-52-36-71)18-26-72-37-53-80-54-38-72)13-14-64(7-3-11-67(19-27-73-39-55-81-56-40-73)20-28-74-41-57-82-58-42-74)8-4-12-68(21-29-75-43-59-83-60-44-75)22-30-76-45-61-84-62-46-76/h1-62H2
InChIKeyPRZRROPVKXHLFG-UHFFFAOYSA-N
XLogP-0.98
TPSA119.20 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds43
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001193.76
LogP ≤ 5-0.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze N-[2-[bis[3-[bis(2-morpholin-4-ylethyl)amino]propyl]amino]ethyl]-N-[3-[bis(2-morpholin-4-ylethyl)amino]propyl]-N',N'-bis(2-morpholin-4-ylethyl)propane-1,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[bis[3-[bis(2-morpholin-4-ylethyl)amino]propyl]amino]ethyl]-N-[3-[bis(2-morpholin-4-ylethyl)amino]propyl]-N',N'-bis(2-morpholin-4-ylethyl)propane-1,3-diamine?
The IUPAC name of N-[2-[bis[3-[bis(2-morpholin-4-ylethyl)amino]propyl]amino]ethyl]-N-[3-[bis(2-morpholin-4-ylethyl)amino]propyl]-N',N'-bis(2-morpholin-4-ylethyl)propane-1,3-diamine (CID 58592019) is N-[2-[bis[3-[bis(2-morpholin-4-ylethyl)amino]propyl]amino]ethyl]-N-[3-[bis(2-morpholin-4-ylethyl)amino]propyl]-N',N'-bis(2-morpholin-4-ylethyl)propane-1,3-diamine.
What is the SMILES notation for N-[2-[bis[3-[bis(2-morpholin-4-ylethyl)amino]propyl]amino]ethyl]-N-[3-[bis(2-morpholin-4-ylethyl)amino]propyl]-N',N'-bis(2-morpholin-4-ylethyl)propane-1,3-diamine?
The canonical SMILES for N-[2-[bis[3-[bis(2-morpholin-4-ylethyl)amino]propyl]amino]ethyl]-N-[3-[bis(2-morpholin-4-ylethyl)amino]propyl]-N',N'-bis(2-morpholin-4-ylethyl)propane-1,3-diamine is C(CN(CCCN(CCN1CCOCC1)CCN1CCOCC1)CCN(CCCN(CCN1CCOCC1)CCN1CCOCC1)CCCN(CCN1CCOCC1)CCN1CCOCC1)CN(CCN1CCOCC1)CCN1CCOCC1.
What is the InChIKey of N-[2-[bis[3-[bis(2-morpholin-4-ylethyl)amino]propyl]amino]ethyl]-N-[3-[bis(2-morpholin-4-ylethyl)amino]propyl]-N',N'-bis(2-morpholin-4-ylethyl)propane-1,3-diamine?
The InChIKey is PRZRROPVKXHLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H124N14O8/c1(9-65(15-23-69-31-47-77-48-32-69)16-24-70-33-49-78-50-34-70)5-63(6-2-10-66(17-25-71-35-51-79-52-36-71)18-26-72-37-53-80-54-38-72)13-14-64(7-3-11-67(19-27-73-39-55-81-56-40-73)20-28-74-41-57-82-58-42-74)8-4-12-68(21-29-75-43-59-83-60-44-75)22-30-76-45-61-84-62-46-76/h1-62H2.
What are the key properties of N-[2-[bis[3-[bis(2-morpholin-4-ylethyl)amino]propyl]amino]ethyl]-N-[3-[bis(2-morpholin-4-ylethyl)amino]propyl]-N',N'-bis(2-morpholin-4-ylethyl)propane-1,3-diamine?
N-[2-[bis[3-[bis(2-morpholin-4-ylethyl)amino]propyl]amino]ethyl]-N-[3-[bis(2-morpholin-4-ylethyl)amino]propyl]-N',N'-bis(2-morpholin-4-ylethyl)propane-1,3-diamine has a molecular weight of 1193.76 g/mol, XLogP of -0.98, 43 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis[3-[bis(2-morpholin-4-ylethyl)amino]propyl]amino]ethyl]-N-[3-[bis(2-morpholin-4-ylethyl)amino]propyl]-N',N'-bis(2-morpholin-4-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 58592019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).