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

C7H17N3O — CID 61424990

IUPAC2-[2-hydroxyethyl(propyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(CCC)CCO
InChIInChI=1S/C7H17N3O/c1-2-3-10(4-5-11)6-7(8)9/h11H,2-6H2,1H3,(H3,8,9)
InChIKeyCSMYHIKTRYBCLG-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.37
Rot. Bonds6

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

2-[2-hydroxyethyl(propyl)amino]ethanimidamide (PubChem CID 61424990) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(propyl)amino]ethanimidamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(propyl)amino]ethanimidamide
PubChem CID61424990
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name2-[2-hydroxyethyl(propyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(CCC)CCO
InChIInChI=1S/C7H17N3O/c1-2-3-10(4-5-11)6-7(8)9/h11H,2-6H2,1H3,(H3,8,9)
InChIKeyCSMYHIKTRYBCLG-UHFFFAOYSA-N
XLogP-0.37
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-hydroxyethyl(propyl)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-[2-hydroxyethyl(propyl)amino]ethanimidamide?
The IUPAC name of 2-[2-hydroxyethyl(propyl)amino]ethanimidamide (CID 61424990) is 2-[2-hydroxyethyl(propyl)amino]ethanimidamide.
What is the SMILES notation for 2-[2-hydroxyethyl(propyl)amino]ethanimidamide?
The canonical SMILES for 2-[2-hydroxyethyl(propyl)amino]ethanimidamide is [H]/N=C(\N)CN(CCC)CCO.
What is the InChIKey of 2-[2-hydroxyethyl(propyl)amino]ethanimidamide?
The InChIKey is CSMYHIKTRYBCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-2-3-10(4-5-11)6-7(8)9/h11H,2-6H2,1H3,(H3,8,9).
What are the key properties of 2-[2-hydroxyethyl(propyl)amino]ethanimidamide?
2-[2-hydroxyethyl(propyl)amino]ethanimidamide has a molecular weight of 159.23 g/mol, XLogP of -0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(propyl)amino]ethanimidamide is sourced from PubChem (CID 61424990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).