1-[bis(1-hydroxyethyl)amino]ethanol;iron

C6H15FeNO3 — CID 87467389

IUPAC1-[bis(1-hydroxyethyl)amino]ethanol;iron
SMILESCC(O)N(C(C)O)C(C)O.[Fe]
InChIInChI=1S/C6H15NO3.Fe/c1-4(8)7(5(2)9)6(3)10;/h4-6,8-10H,1-3H3;
InChIKeyTWFZINCEEKEJOF-UHFFFAOYSA-N
MW205.03 g/mol
LogP-0.70
Rot. Bonds3

About 1-[bis(1-hydroxyethyl)amino]ethanol;iron

1-[bis(1-hydroxyethyl)amino]ethanol;iron (PubChem CID 87467389) has the molecular formula C6H15FeNO3 and a molecular weight of 205.03 g/mol. Its IUPAC name is 1-[bis(1-hydroxyethyl)amino]ethanol;iron.

Molecular Properties

Compound Name1-[bis(1-hydroxyethyl)amino]ethanol;iron
PubChem CID87467389
Molecular FormulaC6H15FeNO3
Molecular Weight205.03 g/mol
Exact Mass205.04
IUPAC Name1-[bis(1-hydroxyethyl)amino]ethanol;iron
SMILESCC(O)N(C(C)O)C(C)O.[Fe]
InChIInChI=1S/C6H15NO3.Fe/c1-4(8)7(5(2)9)6(3)10;/h4-6,8-10H,1-3H3;
InChIKeyTWFZINCEEKEJOF-UHFFFAOYSA-N
XLogP-0.70
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.03
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[bis(1-hydroxyethyl)amino]ethanol;iron 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-[1-hydroxyethyl(propan-2-yl)amino]ethanol
CID 57090083
2-aminoethanol;1-[bis(1-hydroxyethyl)amino]ethanol
CID 173459729
1-[1-bromoethyl(1-hydroxyethyl)amino]ethanol
CID 88510484
(1S)-1-[bis[(1R)-1-hydroxyethyl]amino]propan-1-ol
CID 124562463
(1S)-1-(dimethylamino)ethanol
CID 93477761
(1R)-1-(dimethylamino)ethanol
CID 93477762
1-[bis(1-hydroxyethyl)amino]-2-sulfanylethanol
CID 57313457
1-[bis(1-hydroxyethyl)amino]ethanol;decanedioic acid
CID 87904285
CID 58943019
CID 58943019
1-[bis(1-hydroxyethyl)amino]ethanol;pentanoic acid
CID 173189081
1-[2,2-bis(1-hydroxyethyl)hydrazinyl]ethanol
CID 57006246
3-amino-2-(aminomethyl)-1-[bis(1-hydroxyethyl)amino]propan-1-ol
CID 174240047

Frequently Asked Questions

What is the IUPAC name of 1-[bis(1-hydroxyethyl)amino]ethanol;iron?
The IUPAC name of 1-[bis(1-hydroxyethyl)amino]ethanol;iron (CID 87467389) is 1-[bis(1-hydroxyethyl)amino]ethanol;iron.
What is the SMILES notation for 1-[bis(1-hydroxyethyl)amino]ethanol;iron?
The canonical SMILES for 1-[bis(1-hydroxyethyl)amino]ethanol;iron is CC(O)N(C(C)O)C(C)O.[Fe].
What is the InChIKey of 1-[bis(1-hydroxyethyl)amino]ethanol;iron?
The InChIKey is TWFZINCEEKEJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.Fe/c1-4(8)7(5(2)9)6(3)10;/h4-6,8-10H,1-3H3;.
What are the key properties of 1-[bis(1-hydroxyethyl)amino]ethanol;iron?
1-[bis(1-hydroxyethyl)amino]ethanol;iron has a molecular weight of 205.03 g/mol, XLogP of -0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(1-hydroxyethyl)amino]ethanol;iron is sourced from PubChem (CID 87467389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).