1-[decyl-[3-[decyl-[3-[decyl-[3-[dodecyl(2-hydroxyethyl)amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-3-[dodecyl(2-hydroxyethyl)amino]propan-2-ol

C70H147N5O6 — CID 139686343

IUPAC1-[decyl-[3-[decyl-[3-[decyl-[3-[dodecyl(2-hydroxyethyl)amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-3-[dodecyl(2-hydroxyethyl)amino]propan-2-ol
SMILESCCCCCCCCCCCCN(CCO)CC(O)CN(CCCCCCCCCC)CC(O)CN(CCCCCCCCCC)CC(O)CN(CCCCCCCCCC)CC(O)CN(CCO)CCCCCCCCCCCC
InChIInChI=1S/C70H147N5O6/c1-6-11-16-21-26-31-33-38-40-45-50-71(55-57-76)59-67(78)61-73(52-47-42-35-28-23-18-13-8-3)63-69(80)65-75(54-49-44-37-30-25-20-15-10-5)66-70(81)64-74(53-48-43-36-29-24-19-14-9-4)62-68(79)60-72(56-58-77)51-46-41-39-34-32-27-22-17-12-7-2/h67-70,76-81H,6-66H2,1-5H3
InChIKeyHLDLAQNGDORNEY-UHFFFAOYSA-N
MW1154.97 g/mol
LogP15.19
Rot. Bonds69

About 1-[decyl-[3-[decyl-[3-[decyl-[3-[dodecyl(2-hydroxyethyl)amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-3-[dodecyl(2-hydroxyethyl)amino]propan-2-ol

1-[decyl-[3-[decyl-[3-[decyl-[3-[dodecyl(2-hydroxyethyl)amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-3-[dodecyl(2-hydroxyethyl)amino]propan-2-ol (PubChem CID 139686343) has the molecular formula C70H147N5O6 and a molecular weight of 1154.97 g/mol. Its IUPAC name is 1-[decyl-[3-[decyl-[3-[decyl-[3-[dodecyl(2-hydroxyethyl)amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-3-[dodecyl(2-hydroxyethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[decyl-[3-[decyl-[3-[decyl-[3-[dodecyl(2-hydroxyethyl)amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-3-[dodecyl(2-hydroxyethyl)amino]propan-2-ol
PubChem CID139686343
Molecular FormulaC70H147N5O6
Molecular Weight1154.97 g/mol
Exact Mass1154.14
IUPAC Name1-[decyl-[3-[decyl-[3-[decyl-[3-[dodecyl(2-hydroxyethyl)amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-3-[dodecyl(2-hydroxyethyl)amino]propan-2-ol
SMILESCCCCCCCCCCCCN(CCO)CC(O)CN(CCCCCCCCCC)CC(O)CN(CCCCCCCCCC)CC(O)CN(CCCCCCCCCC)CC(O)CN(CCO)CCCCCCCCCCCC
InChIInChI=1S/C70H147N5O6/c1-6-11-16-21-26-31-33-38-40-45-50-71(55-57-76)59-67(78)61-73(52-47-42-35-28-23-18-13-8-3)63-69(80)65-75(54-49-44-37-30-25-20-15-10-5)66-70(81)64-74(53-48-43-36-29-24-19-14-9-4)62-68(79)60-72(56-58-77)51-46-41-39-34-32-27-22-17-12-7-2/h67-70,76-81H,6-66H2,1-5H3
InChIKeyHLDLAQNGDORNEY-UHFFFAOYSA-N
XLogP15.19
TPSA137.58 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds69
Heavy Atoms81
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001154.97
LogP ≤ 515.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 1-[decyl-[3-[decyl-[3-[decyl-[3-[dodecyl(2-hydroxyethyl)amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-3-[dodecyl(2-hydroxyethyl)amino]propan-2-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

(2R)-3-[dodecyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 98095005
1-[2-hydroxyethyl(octyl)amino]butan-2-ol
CID 23423733
1-[2-hydroxyethyl(2-hydroxyoctyl)amino]octan-2-ol
CID 101275199
(2S)-3-[[(2S)-2,3-dihydroxypropyl]-dodecylamino]propane-1,2-diol
CID 91864838
1-[4-hydroxybutyl(2-hydroxydodecyl)amino]dodecan-2-ol
CID 171428816
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549
2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687
ethane;1-[[(2R)-2-hydroxydodecyl]-pentylamino]dodecan-2-ol
CID 144985798
1-(dipentylamino)butan-2-ol
CID 21496903
1-[2-hydroxybutyl(pentyl)amino]butan-2-ol
CID 23423727
2-[2-hydroxyethyl(octadecyl)amino]ethanol;hydrochloride
CID 22999610
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073

Frequently Asked Questions

What is the IUPAC name of 1-[decyl-[3-[decyl-[3-[decyl-[3-[dodecyl(2-hydroxyethyl)amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-3-[dodecyl(2-hydroxyethyl)amino]propan-2-ol?
The IUPAC name of 1-[decyl-[3-[decyl-[3-[decyl-[3-[dodecyl(2-hydroxyethyl)amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-3-[dodecyl(2-hydroxyethyl)amino]propan-2-ol (CID 139686343) is 1-[decyl-[3-[decyl-[3-[decyl-[3-[dodecyl(2-hydroxyethyl)amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-3-[dodecyl(2-hydroxyethyl)amino]propan-2-ol.
What is the SMILES notation for 1-[decyl-[3-[decyl-[3-[decyl-[3-[dodecyl(2-hydroxyethyl)amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-3-[dodecyl(2-hydroxyethyl)amino]propan-2-ol?
The canonical SMILES for 1-[decyl-[3-[decyl-[3-[decyl-[3-[dodecyl(2-hydroxyethyl)amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-3-[dodecyl(2-hydroxyethyl)amino]propan-2-ol is CCCCCCCCCCCCN(CCO)CC(O)CN(CCCCCCCCCC)CC(O)CN(CCCCCCCCCC)CC(O)CN(CCCCCCCCCC)CC(O)CN(CCO)CCCCCCCCCCCC.
What is the InChIKey of 1-[decyl-[3-[decyl-[3-[decyl-[3-[dodecyl(2-hydroxyethyl)amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-3-[dodecyl(2-hydroxyethyl)amino]propan-2-ol?
The InChIKey is HLDLAQNGDORNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H147N5O6/c1-6-11-16-21-26-31-33-38-40-45-50-71(55-57-76)59-67(78)61-73(52-47-42-35-28-23-18-13-8-3)63-69(80)65-75(54-49-44-37-30-25-20-15-10-5)66-70(81)64-74(53-48-43-36-29-24-19-14-9-4)62-68(79)60-72(56-58-77)51-46-41-39-34-32-27-22-17-12-7-2/h67-70,76-81H,6-66H2,1-5H3.
What are the key properties of 1-[decyl-[3-[decyl-[3-[decyl-[3-[dodecyl(2-hydroxyethyl)amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-3-[dodecyl(2-hydroxyethyl)amino]propan-2-ol?
1-[decyl-[3-[decyl-[3-[decyl-[3-[dodecyl(2-hydroxyethyl)amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-3-[dodecyl(2-hydroxyethyl)amino]propan-2-ol has a molecular weight of 1154.97 g/mol, XLogP of 15.19, 69 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[decyl-[3-[decyl-[3-[decyl-[3-[dodecyl(2-hydroxyethyl)amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-3-[dodecyl(2-hydroxyethyl)amino]propan-2-ol is sourced from PubChem (CID 139686343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).