1-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-3-[2-[2-[3-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-2-hydroxypropoxy]ethoxy]ethoxy]propan-2-ol

C26H64N10O5 — CID 20686698

IUPAC1-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-3-[2-[2-[3-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-2-hydroxypropoxy]ethoxy]ethoxy]propan-2-ol
SMILESNCCNCCN(CCN)CCNCC(O)COCCOCCOCC(O)CNCCN(CCN)CCNCCN
InChIInChI=1S/C26H64N10O5/c27-1-5-31-7-13-35(11-3-29)15-9-33-21-25(37)23-40-19-17-39-18-20-41-24-26(38)22-34-10-16-36(12-4-30)14-8-32-6-2-28/h25-26,31-34,37-38H,1-24,27-30H2
InChIKeyBIDOSUOQBUKCJB-UHFFFAOYSA-N
MW596.86 g/mol
LogP-5.44
Rot. Bonds34

About 1-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-3-[2-[2-[3-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-2-hydroxypropoxy]ethoxy]ethoxy]propan-2-ol

1-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-3-[2-[2-[3-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-2-hydroxypropoxy]ethoxy]ethoxy]propan-2-ol (PubChem CID 20686698) has the molecular formula C26H64N10O5 and a molecular weight of 596.86 g/mol. Its IUPAC name is 1-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-3-[2-[2-[3-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-2-hydroxypropoxy]ethoxy]ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-3-[2-[2-[3-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-2-hydroxypropoxy]ethoxy]ethoxy]propan-2-ol
PubChem CID20686698
Molecular FormulaC26H64N10O5
Molecular Weight596.86 g/mol
Exact Mass596.51
IUPAC Name1-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-3-[2-[2-[3-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-2-hydroxypropoxy]ethoxy]ethoxy]propan-2-ol
SMILESNCCNCCN(CCN)CCNCC(O)COCCOCCOCC(O)CNCCN(CCN)CCNCCN
InChIInChI=1S/C26H64N10O5/c27-1-5-31-7-13-35(11-3-29)15-9-33-21-25(37)23-40-19-17-39-18-20-41-24-26(38)22-34-10-16-36(12-4-30)14-8-32-6-2-28/h25-26,31-34,37-38H,1-24,27-30H2
InChIKeyBIDOSUOQBUKCJB-UHFFFAOYSA-N
XLogP-5.44
TPSA226.83 Ų
H-Bond Donors10
H-Bond Acceptors15
Rotatable Bonds34
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500596.86
LogP ≤ 5-5.44
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 1-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-3-[2-[2-[3-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-2-hydroxypropoxy]ethoxy]ethoxy]propan-2-ol with MolForge

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Related Compounds

2-[2-[2-[2-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]ethyl-[2-(2-methoxyethoxy)ethyl]amino]ethoxy]ethanol;1-[2-[2-[2-[3-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[2-[2-(2-hydroxyethoxy)ethyl-[2-(2-methoxyethoxy)ethyl]amino]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]ethylamino]ethyl]amino]ethylamino]-2-hydroxypropoxy]ethoxy]ethoxy]ethoxy]-3-[2-[2-[2-aminoethyl-[2-[2-[2-[2-(2-hydroxyethoxy)ethyl-[2-(2-methoxyethoxy)ethyl]amino]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]ethylamino]ethyl]amino]ethylamino]ethylamino]propan-2-ol;N'-[2-[2-aminoethyl-[2-[2-[bis(2-aminoethyl)amino]ethylamino]ethyl]amino]ethyl]ethane-1,2-diamine;1-chloro-3-[2-[2-[2-(3-chloro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]propan-2-ol;methane
CID 157128096
1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 62141108
1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-propoxypropan-2-ol
CID 132934310
(2R)-1-(2-aminoethylamino)-3-butoxypropan-2-ol
CID 92574092
N'-[2-[2-aminoethyl-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethylamino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 171053693
1-[2-[2-[2-(2-aminoethylamino)ethyl-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]ethyl-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl]amino]ethylamino]-3-(3-trimethoxysilylpropoxy)propan-2-ol
CID 88536003
N'-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethyl]ethane-1,2-diamine
CID 176987325
1-[2-[bis(2-aminoethyl)amino]ethylamino]-3-[3-[3-[2-[bis(2-aminoethyl)amino]ethylamino]-2-hydroxypropoxy]-2,2-bis[[3-[2-[bis(2-aminoethyl)amino]ethylamino]-2-hydroxypropoxy]methyl]propoxy]propan-2-ol;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;2-[[3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propoxy]methyl]oxirane
CID 161391571
1-(2-aminoethylamino)-3-(7-methyloctoxy)propan-2-ol
CID 175928997
1-[2-[2-[2-[2-aminoethyl-[2-(2-hydroxypentadecylamino)ethyl]amino]ethylamino]ethyl-[2-[2-[2-aminoethyl-[2-(2-hydroxypentadecylamino)ethyl]amino]ethyl-hexylamino]ethyl]amino]ethylamino]octadecan-5-ol
CID 158805135
1-[2-[2-[2-(2-aminoethylamino)ethyl-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl]amino]ethyl-[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethylamino]-3-(3-trimethoxysilylpropoxy)propan-2-ol
CID 88535976
1-[2-[2-[2-(2-aminoethylamino)ethyl-[2-hydroxy-3-(3-trihydroxysilylpropoxy)propyl]amino]ethyl-[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethylamino]-3-(3-trihydroxysilylpropoxy)propan-2-ol
CID 88535995

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-3-[2-[2-[3-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-2-hydroxypropoxy]ethoxy]ethoxy]propan-2-ol?
The IUPAC name of 1-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-3-[2-[2-[3-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-2-hydroxypropoxy]ethoxy]ethoxy]propan-2-ol (CID 20686698) is 1-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-3-[2-[2-[3-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-2-hydroxypropoxy]ethoxy]ethoxy]propan-2-ol.
What is the SMILES notation for 1-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-3-[2-[2-[3-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-2-hydroxypropoxy]ethoxy]ethoxy]propan-2-ol?
The canonical SMILES for 1-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-3-[2-[2-[3-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-2-hydroxypropoxy]ethoxy]ethoxy]propan-2-ol is NCCNCCN(CCN)CCNCC(O)COCCOCCOCC(O)CNCCN(CCN)CCNCCN.
What is the InChIKey of 1-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-3-[2-[2-[3-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-2-hydroxypropoxy]ethoxy]ethoxy]propan-2-ol?
The InChIKey is BIDOSUOQBUKCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H64N10O5/c27-1-5-31-7-13-35(11-3-29)15-9-33-21-25(37)23-40-19-17-39-18-20-41-24-26(38)22-34-10-16-36(12-4-30)14-8-32-6-2-28/h25-26,31-34,37-38H,1-24,27-30H2.
What are the key properties of 1-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-3-[2-[2-[3-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-2-hydroxypropoxy]ethoxy]ethoxy]propan-2-ol?
1-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-3-[2-[2-[3-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-2-hydroxypropoxy]ethoxy]ethoxy]propan-2-ol has a molecular weight of 596.86 g/mol, XLogP of -5.44, 34 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-3-[2-[2-[3-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-2-hydroxypropoxy]ethoxy]ethoxy]propan-2-ol is sourced from PubChem (CID 20686698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).