2-[bis(2-hydroxyethyl)amino]ethanimidamide

C6H15N3O2 — CID 61236367

IUPAC2-[bis(2-hydroxyethyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(CCO)CCO
InChIInChI=1S/C6H15N3O2/c7-6(8)5-9(1-3-10)2-4-11/h10-11H,1-5H2,(H3,7,8)
InChIKeyJXHDUVODVJOTOE-UHFFFAOYSA-N
MW161.20 g/mol
LogP-1.79
Rot. Bonds6

About 2-[bis(2-hydroxyethyl)amino]ethanimidamide

2-[bis(2-hydroxyethyl)amino]ethanimidamide (PubChem CID 61236367) has the molecular formula C6H15N3O2 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanimidamide.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanimidamide
PubChem CID61236367
Molecular FormulaC6H15N3O2
Molecular Weight161.20 g/mol
Exact Mass161.12
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(CCO)CCO
InChIInChI=1S/C6H15N3O2/c7-6(8)5-9(1-3-10)2-4-11/h10-11H,1-5H2,(H3,7,8)
InChIKeyJXHDUVODVJOTOE-UHFFFAOYSA-N
XLogP-1.79
TPSA93.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-1.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[bis(2-hydroxyethyl)amino]ethanimidamide 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-[bis(2-hydroxyethyl)amino]ethanimidamide?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanimidamide (CID 61236367) is 2-[bis(2-hydroxyethyl)amino]ethanimidamide.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanimidamide?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanimidamide is [H]/N=C(\N)CN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanimidamide?
The InChIKey is JXHDUVODVJOTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2/c7-6(8)5-9(1-3-10)2-4-11/h10-11H,1-5H2,(H3,7,8).
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanimidamide?
2-[bis(2-hydroxyethyl)amino]ethanimidamide has a molecular weight of 161.20 g/mol, XLogP of -1.79, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanimidamide is sourced from PubChem (CID 61236367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).