2-amino-2-[bis(2-hydroxyethyl)amino]propan-1-ol

C7H18N2O3 — CID 91535831

IUPAC2-amino-2-[bis(2-hydroxyethyl)amino]propan-1-ol
SMILESCC(N)(CO)N(CCO)CCO
InChIInChI=1S/C7H18N2O3/c1-7(8,6-12)9(2-4-10)3-5-11/h10-12H,2-6,8H2,1H3
InChIKeyCNCOYOFEDJRZFX-UHFFFAOYSA-N
MW178.23 g/mol
LogP-2.06
Rot. Bonds6

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

2-amino-2-[bis(2-hydroxyethyl)amino]propan-1-ol (PubChem CID 91535831) has the molecular formula C7H18N2O3 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-amino-2-[bis(2-hydroxyethyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-amino-2-[bis(2-hydroxyethyl)amino]propan-1-ol
PubChem CID91535831
Molecular FormulaC7H18N2O3
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name2-amino-2-[bis(2-hydroxyethyl)amino]propan-1-ol
SMILESCC(N)(CO)N(CCO)CCO
InChIInChI=1S/C7H18N2O3/c1-7(8,6-12)9(2-4-10)3-5-11/h10-12H,2-6,8H2,1H3
InChIKeyCNCOYOFEDJRZFX-UHFFFAOYSA-N
XLogP-2.06
TPSA89.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 5-2.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-2-[bis(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 2-amino-2-[bis(2-hydroxyethyl)amino]propan-1-ol?
The IUPAC name of 2-amino-2-[bis(2-hydroxyethyl)amino]propan-1-ol (CID 91535831) is 2-amino-2-[bis(2-hydroxyethyl)amino]propan-1-ol.
What is the SMILES notation for 2-amino-2-[bis(2-hydroxyethyl)amino]propan-1-ol?
The canonical SMILES for 2-amino-2-[bis(2-hydroxyethyl)amino]propan-1-ol is CC(N)(CO)N(CCO)CCO.
What is the InChIKey of 2-amino-2-[bis(2-hydroxyethyl)amino]propan-1-ol?
The InChIKey is CNCOYOFEDJRZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O3/c1-7(8,6-12)9(2-4-10)3-5-11/h10-12H,2-6,8H2,1H3.
What are the key properties of 2-amino-2-[bis(2-hydroxyethyl)amino]propan-1-ol?
2-amino-2-[bis(2-hydroxyethyl)amino]propan-1-ol has a molecular weight of 178.23 g/mol, XLogP of -2.06, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[bis(2-hydroxyethyl)amino]propan-1-ol is sourced from PubChem (CID 91535831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).