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

C72H156N10O3 — CID 158805135

IUPAC1-[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
SMILESCCCCCCCCCCCCCC(O)CCCCNCCN(CCNCCN(CCN)CCNCC(O)CCCCCCCCCCCCC)CCN(CCCCCC)CCN(CCN)CCNCC(O)CCCCCCCCCCCCC
InChIInChI=1S/C72H156N10O3/c1-5-9-13-17-20-23-26-29-32-35-38-44-70(83)45-41-42-50-75-51-60-82(61-53-76-52-59-80(57-48-73)62-54-77-68-71(84)46-39-36-33-30-27-24-21-18-14-10-6-2)67-65-79(56-43-16-12-8-4)64-66-81(58-49-74)63-55-78-69-72(85)47-40-37-34-31-28-25-22-19-15-11-7-3/h70-72,75-78,83-85H,5-69,73-74H2,1-4H3
InChIKeyITZCFOVUBFXUQJ-UHFFFAOYSA-N
MW1210.11 g/mol
LogP13.41
Rot. Bonds75

About 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

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 (PubChem CID 158805135) has the molecular formula C72H156N10O3 and a molecular weight of 1210.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID158805135
Molecular FormulaC72H156N10O3
Molecular Weight1210.11 g/mol
Exact Mass1209.24
IUPAC Name1-[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
SMILESCCCCCCCCCCCCCC(O)CCCCNCCN(CCNCCN(CCN)CCNCC(O)CCCCCCCCCCCCC)CCN(CCCCCC)CCN(CCN)CCNCC(O)CCCCCCCCCCCCC
InChIInChI=1S/C72H156N10O3/c1-5-9-13-17-20-23-26-29-32-35-38-44-70(83)45-41-42-50-75-51-60-82(61-53-76-52-59-80(57-48-73)62-54-77-68-71(84)46-39-36-33-30-27-24-21-18-14-10-6-2)67-65-79(56-43-16-12-8-4)64-66-81(58-49-74)63-55-78-69-72(85)47-40-37-34-31-28-25-22-19-15-11-7-3/h70-72,75-78,83-85H,5-69,73-74H2,1-4H3
InChIKeyITZCFOVUBFXUQJ-UHFFFAOYSA-N
XLogP13.41
TPSA173.81 Ų
H-Bond Donors9
H-Bond Acceptors13
Rotatable Bonds75
Heavy Atoms85
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001210.11
LogP ≤ 513.41
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[2-(2-hydroxydecylamino)ethyl-[2-(2-hydroxydodecylamino)ethyl]amino]ethylamino]dodecan-2-ol
CID 162485170
1-[2-(2-aminoethylamino)ethylamino]tetradecan-2-ol
CID 20527041
1-(6-aminohexylamino)heptadecan-2-ol
CID 71383255
1-[2-[2-[2-[ethyl-[2-(2-hydroxydodecylamino)ethyl]amino]ethylamino]ethyl-(3-hydroxytridecyl)amino]ethyl-(2-hydroxydodecyl)amino]tridecan-2-ol
CID 167218584
N'-[2-(dioctadecylamino)ethyl]ethane-1,2-diamine
CID 19593405
1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol
CID 21332395
1-(hexadecylamino)undecan-2-ol
CID 50915787
1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol
CID 21332422
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethyl-[2-(methylamino)ethyl]amino]ethylamino]ethyl-[2-[2-[bis(2-aminoethyl)amino]ethylamino]ethyl]amino]ethylamino]ethyl-[2-[2-[2-aminoethyl-[2-[2-(methylamino)ethylamino]ethyl]amino]ethylamino]ethyl]amino]ethylamino]ethyl-methylamino]ethylamino]hexan-2-ol
CID 88594394
N'-[2-[2-(2-aminoethylamino)ethyl-[3-[3-[2-aminoethyl(3-aminopropyl)amino]propylamino]propyl]amino]ethyl]-N'-[2-[bis(3-aminopropyl)amino]ethyl]heptane-1,7-diamine;N-ethylpentan-1-amine
CID 165036061
N'-[2-[di(nonyl)amino]ethyl]octane-1,8-diamine
CID 142498918
1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide
CID 21332373

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCCCCCCC(O)CCCCNCCN(CCNCCN(CCN)CCNCC(O)CCCCCCCCCCCCC)CCN(CCCCCC)CCN(CCN)CCNCC(O)CCCCCCCCCCCCC.
What is the InChIKey of 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?
The InChIKey is ITZCFOVUBFXUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H156N10O3/c1-5-9-13-17-20-23-26-29-32-35-38-44-70(83)45-41-42-50-75-51-60-82(61-53-76-52-59-80(57-48-73)62-54-77-68-71(84)46-39-36-33-30-27-24-21-18-14-10-6-2)67-65-79(56-43-16-12-8-4)64-66-81(58-49-74)63-55-78-69-72(85)47-40-37-34-31-28-25-22-19-15-11-7-3/h70-72,75-78,83-85H,5-69,73-74H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 1210.11 g/mol, XLogP of 13.41, 75 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158805135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).