1-[2-hydroxyethyl-[2-(2-hydroxypropoxy)propyl]amino]propan-2-ol

C11H25NO4 — CID 148541643

IUPAC1-[2-hydroxyethyl-[2-(2-hydroxypropoxy)propyl]amino]propan-2-ol
SMILESCC(O)COC(C)CN(CCO)CC(C)O
InChIInChI=1S/C11H25NO4/c1-9(14)6-12(4-5-13)7-11(3)16-8-10(2)15/h9-11,13-15H,4-8H2,1-3H3
InChIKeyMSGYNKFSIFODSY-UHFFFAOYSA-N
MW235.32 g/mol
LogP-0.55
Rot. Bonds9

About 1-[2-hydroxyethyl-[2-(2-hydroxypropoxy)propyl]amino]propan-2-ol

1-[2-hydroxyethyl-[2-(2-hydroxypropoxy)propyl]amino]propan-2-ol (PubChem CID 148541643) has the molecular formula C11H25NO4 and a molecular weight of 235.32 g/mol. Its IUPAC name is 1-[2-hydroxyethyl-[2-(2-hydroxypropoxy)propyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxyethyl-[2-(2-hydroxypropoxy)propyl]amino]propan-2-ol
PubChem CID148541643
Molecular FormulaC11H25NO4
Molecular Weight235.32 g/mol
Exact Mass235.18
IUPAC Name1-[2-hydroxyethyl-[2-(2-hydroxypropoxy)propyl]amino]propan-2-ol
SMILESCC(O)COC(C)CN(CCO)CC(C)O
InChIInChI=1S/C11H25NO4/c1-9(14)6-12(4-5-13)7-11(3)16-8-10(2)15/h9-11,13-15H,4-8H2,1-3H3
InChIKeyMSGYNKFSIFODSY-UHFFFAOYSA-N
XLogP-0.55
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-hydroxyethyl-[2-(2-hydroxypropoxy)propyl]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

(2S)-1-[2-hydroxyethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 6950665
(2S)-1-[ethyl(2-hydroxyethyl)amino]propan-2-ol
CID 106932732
acetic acid;1-[bis(2-hydroxyethyl)amino]propan-2-ol
CID 170839006
N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;2-(2-hydroxypropoxy)propan-1-ol
CID 162147742
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 129258007
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 22051694
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128
2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 57250995
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 52944184
1-[3-(dimethylamino)propyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 87581413
1-(2-hydroxypropoxy)ethane-1,2-diol
CID 54202578
1-[2-hydroxyethyl(2-hydroxypropyl)amino]decan-2-ol
CID 155427539

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxyethyl-[2-(2-hydroxypropoxy)propyl]amino]propan-2-ol?
The IUPAC name of 1-[2-hydroxyethyl-[2-(2-hydroxypropoxy)propyl]amino]propan-2-ol (CID 148541643) is 1-[2-hydroxyethyl-[2-(2-hydroxypropoxy)propyl]amino]propan-2-ol.
What is the SMILES notation for 1-[2-hydroxyethyl-[2-(2-hydroxypropoxy)propyl]amino]propan-2-ol?
The canonical SMILES for 1-[2-hydroxyethyl-[2-(2-hydroxypropoxy)propyl]amino]propan-2-ol is CC(O)COC(C)CN(CCO)CC(C)O.
What is the InChIKey of 1-[2-hydroxyethyl-[2-(2-hydroxypropoxy)propyl]amino]propan-2-ol?
The InChIKey is MSGYNKFSIFODSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO4/c1-9(14)6-12(4-5-13)7-11(3)16-8-10(2)15/h9-11,13-15H,4-8H2,1-3H3.
What are the key properties of 1-[2-hydroxyethyl-[2-(2-hydroxypropoxy)propyl]amino]propan-2-ol?
1-[2-hydroxyethyl-[2-(2-hydroxypropoxy)propyl]amino]propan-2-ol has a molecular weight of 235.32 g/mol, XLogP of -0.55, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxyethyl-[2-(2-hydroxypropoxy)propyl]amino]propan-2-ol is sourced from PubChem (CID 148541643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).