3-[[1-[ethyl(2-hydroxyethyl)amino]-2-hydroxyethyl]amino]propan-1-ol

C9H22N2O3 — CID 22435941

IUPAC3-[[1-[ethyl(2-hydroxyethyl)amino]-2-hydroxyethyl]amino]propan-1-ol
SMILESCCN(CCO)C(CO)NCCCO
InChIInChI=1S/C9H22N2O3/c1-2-11(5-7-13)9(8-14)10-4-3-6-12/h9-10,12-14H,2-8H2,1H3
InChIKeyMTJLQDVOOPMUNR-UHFFFAOYSA-N
MW206.29 g/mol
LogP-1.41
Rot. Bonds9

About 3-[[1-[ethyl(2-hydroxyethyl)amino]-2-hydroxyethyl]amino]propan-1-ol

3-[[1-[ethyl(2-hydroxyethyl)amino]-2-hydroxyethyl]amino]propan-1-ol (PubChem CID 22435941) has the molecular formula C9H22N2O3 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-[[1-[ethyl(2-hydroxyethyl)amino]-2-hydroxyethyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[1-[ethyl(2-hydroxyethyl)amino]-2-hydroxyethyl]amino]propan-1-ol
PubChem CID22435941
Molecular FormulaC9H22N2O3
Molecular Weight206.29 g/mol
Exact Mass206.16
IUPAC Name3-[[1-[ethyl(2-hydroxyethyl)amino]-2-hydroxyethyl]amino]propan-1-ol
SMILESCCN(CCO)C(CO)NCCCO
InChIInChI=1S/C9H22N2O3/c1-2-11(5-7-13)9(8-14)10-4-3-6-12/h9-10,12-14H,2-8H2,1H3
InChIKeyMTJLQDVOOPMUNR-UHFFFAOYSA-N
XLogP-1.41
TPSA75.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[1-[ethyl(2-hydroxyethyl)amino]-2-hydroxyethyl]amino]propan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[ethyl(2-hydroxyethyl)amino]-2-hydroxyethyl]amino]propan-1-ol?
The IUPAC name of 3-[[1-[ethyl(2-hydroxyethyl)amino]-2-hydroxyethyl]amino]propan-1-ol (CID 22435941) is 3-[[1-[ethyl(2-hydroxyethyl)amino]-2-hydroxyethyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[1-[ethyl(2-hydroxyethyl)amino]-2-hydroxyethyl]amino]propan-1-ol?
The canonical SMILES for 3-[[1-[ethyl(2-hydroxyethyl)amino]-2-hydroxyethyl]amino]propan-1-ol is CCN(CCO)C(CO)NCCCO.
What is the InChIKey of 3-[[1-[ethyl(2-hydroxyethyl)amino]-2-hydroxyethyl]amino]propan-1-ol?
The InChIKey is MTJLQDVOOPMUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3/c1-2-11(5-7-13)9(8-14)10-4-3-6-12/h9-10,12-14H,2-8H2,1H3.
What are the key properties of 3-[[1-[ethyl(2-hydroxyethyl)amino]-2-hydroxyethyl]amino]propan-1-ol?
3-[[1-[ethyl(2-hydroxyethyl)amino]-2-hydroxyethyl]amino]propan-1-ol has a molecular weight of 206.29 g/mol, XLogP of -1.41, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[ethyl(2-hydroxyethyl)amino]-2-hydroxyethyl]amino]propan-1-ol is sourced from PubChem (CID 22435941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).