N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-ethylamino]ethyl]amino]ethyl]amino]ethyl-ethylamino]propanamide

C54H126N24O4 — CID 132559980

IUPACN-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-ethylamino]ethyl]amino]ethyl]amino]ethyl-ethylamino]propanamide
SMILESCCN(CCC(=O)NCCNCCNCCNCCN)CCN(CCC(=O)NCCNCCNCCNCCN)CCN(CCC(=O)NCCNCCNCCNCCN)CCN(CC)CCC(=O)NCCNCCNCCNCCN
InChIInChI=1S/C54H126N24O4/c1-3-75(41-5-51(79)71-37-33-67-29-25-63-21-17-59-13-9-55)45-47-77(43-7-53(81)73-39-35-69-31-27-65-23-19-61-15-11-57)49-50-78(44-8-54(82)74-40-36-70-32-28-66-24-20-62-16-12-58)48-46-76(4-2)42-6-52(80)72-38-34-68-30-26-64-22-18-60-14-10-56/h59-70H,3-50,55-58H2,1-2H3,(H,71,79)(H,72,80)(H,73,81)(H,74,82)
InChIKeySAJMFBZIIQIBPQ-UHFFFAOYSA-N
MW1175.77 g/mol
LogP-8.83
Rot. Bonds67

About N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-ethylamino]ethyl]amino]ethyl]amino]ethyl-ethylamino]propanamide

N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-ethylamino]ethyl]amino]ethyl]amino]ethyl-ethylamino]propanamide (PubChem CID 132559980) has the molecular formula C54H126N24O4 and a molecular weight of 1175.77 g/mol. Its IUPAC name is N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-ethylamino]ethyl]amino]ethyl]amino]ethyl-ethylamino]propanamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-ethylamino]ethyl]amino]ethyl]amino]ethyl-ethylamino]propanamide
PubChem CID132559980
Molecular FormulaC54H126N24O4
Molecular Weight1175.77 g/mol
Exact Mass1175.04
IUPAC NameN-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-ethylamino]ethyl]amino]ethyl]amino]ethyl-ethylamino]propanamide
SMILESCCN(CCC(=O)NCCNCCNCCNCCN)CCN(CCC(=O)NCCNCCNCCNCCN)CCN(CCC(=O)NCCNCCNCCNCCN)CCN(CC)CCC(=O)NCCNCCNCCNCCN
InChIInChI=1S/C54H126N24O4/c1-3-75(41-5-51(79)71-37-33-67-29-25-63-21-17-59-13-9-55)45-47-77(43-7-53(81)73-39-35-69-31-27-65-23-19-61-15-11-57)49-50-78(44-8-54(82)74-40-36-70-32-28-66-24-20-62-16-12-58)48-46-76(4-2)42-6-52(80)72-38-34-68-30-26-64-22-18-60-14-10-56/h59-70H,3-50,55-58H2,1-2H3,(H,71,79)(H,72,80)(H,73,81)(H,74,82)
InChIKeySAJMFBZIIQIBPQ-UHFFFAOYSA-N
XLogP-8.83
TPSA377.80 Ų
H-Bond Donors20
H-Bond Acceptors24
Rotatable Bonds67
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001175.77
LogP ≤ 5-8.83
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-ethylamino]ethyl]amino]ethyl]amino]ethyl-ethylamino]propanamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[3-[3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propylamino]propyl]amino]propanamide
CID 10579255
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethyl]amino]propanamide;bis(ethane-1,2-diamine)
CID 159293879
N-(2-aminoethyl)-4-[2-[[4-(2-aminoethylamino)-4-oxobutyl]-[3-(2-aminoethylamino)-3-oxopropyl]amino]ethyl-[3-(2-aminoethylamino)-3-oxopropyl]amino]butanamide
CID 163628502
N-(3-aminopropyl)-3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propanamide
CID 118288521
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-octylamino]propanamide
CID 101430189
3-[2-aminoethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide
CID 160990447
N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-[3-[3-[[3-[3-[bis[3-(3-aminopropylamino)-3-oxopropyl]amino]propylamino]-3-oxopropyl]-[3-[3-[bis[3-[3-[bis[3-(3-aminopropylamino)-3-oxopropyl]amino]propylamino]-3-oxopropyl]amino]propylamino]propyl]amino]propanoylamino]propyl]amino]propanamide
CID 10796636
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N,N,N',N'-tetraethylethane-1,2-diamine
CID 87350577
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-(3-dimethylsilylpropyl)amino]propanamide
CID 71427849
3-[2-aminoethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;N-hexadecyl-3-[2-[[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]propanamide;N-hexadecyl-3-(propylamino)propanamide;methane
CID 158556513
N-[2-(2-aminoethylamino)ethyl]nonanamide
CID 11959333
N-[2-(2-aminoethylamino)ethyl]heptadecanamide
CID 13469785

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-ethylamino]ethyl]amino]ethyl]amino]ethyl-ethylamino]propanamide?
The IUPAC name of N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-ethylamino]ethyl]amino]ethyl]amino]ethyl-ethylamino]propanamide (CID 132559980) is N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-ethylamino]ethyl]amino]ethyl]amino]ethyl-ethylamino]propanamide.
What is the SMILES notation for N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-ethylamino]ethyl]amino]ethyl]amino]ethyl-ethylamino]propanamide?
The canonical SMILES for N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-ethylamino]ethyl]amino]ethyl]amino]ethyl-ethylamino]propanamide is CCN(CCC(=O)NCCNCCNCCNCCN)CCN(CCC(=O)NCCNCCNCCNCCN)CCN(CCC(=O)NCCNCCNCCNCCN)CCN(CC)CCC(=O)NCCNCCNCCNCCN.
What is the InChIKey of N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-ethylamino]ethyl]amino]ethyl]amino]ethyl-ethylamino]propanamide?
The InChIKey is SAJMFBZIIQIBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H126N24O4/c1-3-75(41-5-51(79)71-37-33-67-29-25-63-21-17-59-13-9-55)45-47-77(43-7-53(81)73-39-35-69-31-27-65-23-19-61-15-11-57)49-50-78(44-8-54(82)74-40-36-70-32-28-66-24-20-62-16-12-58)48-46-76(4-2)42-6-52(80)72-38-34-68-30-26-64-22-18-60-14-10-56/h59-70H,3-50,55-58H2,1-2H3,(H,71,79)(H,72,80)(H,73,81)(H,74,82).
What are the key properties of N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-ethylamino]ethyl]amino]ethyl]amino]ethyl-ethylamino]propanamide?
N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-ethylamino]ethyl]amino]ethyl]amino]ethyl-ethylamino]propanamide has a molecular weight of 1175.77 g/mol, XLogP of -8.83, 67 rotatable bonds, 20 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-ethylamino]ethyl]amino]ethyl]amino]ethyl-ethylamino]propanamide is sourced from PubChem (CID 132559980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).