N'-[2-(2-hydroxyethylamino)ethyl]ethanimidamide

C6H15N3O — CID 174446010

IUPACN'-[2-(2-hydroxyethylamino)ethyl]ethanimidamide
SMILESC/C(N)=N\CCNCCO
InChIInChI=1S/C6H15N3O/c1-6(7)9-3-2-8-4-5-10/h8,10H,2-5H2,1H3,(H2,7,9)
InChIKeyLSEKDUHCSZQNRA-UHFFFAOYSA-N
MW145.21 g/mol
LogP-1.05
Rot. Bonds5

About N'-[2-(2-hydroxyethylamino)ethyl]ethanimidamide

N'-[2-(2-hydroxyethylamino)ethyl]ethanimidamide (PubChem CID 174446010) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is N'-[2-(2-hydroxyethylamino)ethyl]ethanimidamide.

Molecular Properties

Compound NameN'-[2-(2-hydroxyethylamino)ethyl]ethanimidamide
PubChem CID174446010
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC NameN'-[2-(2-hydroxyethylamino)ethyl]ethanimidamide
SMILESC/C(N)=N\CCNCCO
InChIInChI=1S/C6H15N3O/c1-6(7)9-3-2-8-4-5-10/h8,10H,2-5H2,1H3,(H2,7,9)
InChIKeyLSEKDUHCSZQNRA-UHFFFAOYSA-N
XLogP-1.05
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[2-(2-hydroxyethylamino)ethyl]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 N'-[2-(2-hydroxyethylamino)ethyl]ethanimidamide?
The IUPAC name of N'-[2-(2-hydroxyethylamino)ethyl]ethanimidamide (CID 174446010) is N'-[2-(2-hydroxyethylamino)ethyl]ethanimidamide.
What is the SMILES notation for N'-[2-(2-hydroxyethylamino)ethyl]ethanimidamide?
The canonical SMILES for N'-[2-(2-hydroxyethylamino)ethyl]ethanimidamide is C/C(N)=N\CCNCCO.
What is the InChIKey of N'-[2-(2-hydroxyethylamino)ethyl]ethanimidamide?
The InChIKey is LSEKDUHCSZQNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O/c1-6(7)9-3-2-8-4-5-10/h8,10H,2-5H2,1H3,(H2,7,9).
What are the key properties of N'-[2-(2-hydroxyethylamino)ethyl]ethanimidamide?
N'-[2-(2-hydroxyethylamino)ethyl]ethanimidamide has a molecular weight of 145.21 g/mol, XLogP of -1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-hydroxyethylamino)ethyl]ethanimidamide is sourced from PubChem (CID 174446010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).