2-N-(3-morpholin-4-ylpropyl)-4,5-dihydroimidazole-1,2-diamine

C10H21N5O — CID 19785377

IUPAC2-N-(3-morpholin-4-ylpropyl)-4,5-dihydroimidazole-1,2-diamine
SMILESNN1CCN=C1NCCCN1CCOCC1
InChIInChI=1S/C10H21N5O/c11-15-5-3-13-10(15)12-2-1-4-14-6-8-16-9-7-14/h1-9,11H2,(H,12,13)
InChIKeyJQDZICRAFYQDQM-UHFFFAOYSA-N
MW227.31 g/mol
LogP-1.16
Rot. Bonds4

About 2-N-(3-morpholin-4-ylpropyl)-4,5-dihydroimidazole-1,2-diamine

2-N-(3-morpholin-4-ylpropyl)-4,5-dihydroimidazole-1,2-diamine (PubChem CID 19785377) has the molecular formula C10H21N5O and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-N-(3-morpholin-4-ylpropyl)-4,5-dihydroimidazole-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-morpholin-4-ylpropyl)-4,5-dihydroimidazole-1,2-diamine
PubChem CID19785377
Molecular FormulaC10H21N5O
Molecular Weight227.31 g/mol
Exact Mass227.17
IUPAC Name2-N-(3-morpholin-4-ylpropyl)-4,5-dihydroimidazole-1,2-diamine
SMILESNN1CCN=C1NCCCN1CCOCC1
InChIInChI=1S/C10H21N5O/c11-15-5-3-13-10(15)12-2-1-4-14-6-8-16-9-7-14/h1-9,11H2,(H,12,13)
InChIKeyJQDZICRAFYQDQM-UHFFFAOYSA-N
XLogP-1.16
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-N-(3-morpholin-4-ylpropyl)-4,5-dihydroimidazole-1,2-diamine 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-N-(3-morpholin-4-ylpropyl)-4,5-dihydroimidazole-1,2-diamine?
The IUPAC name of 2-N-(3-morpholin-4-ylpropyl)-4,5-dihydroimidazole-1,2-diamine (CID 19785377) is 2-N-(3-morpholin-4-ylpropyl)-4,5-dihydroimidazole-1,2-diamine.
What is the SMILES notation for 2-N-(3-morpholin-4-ylpropyl)-4,5-dihydroimidazole-1,2-diamine?
The canonical SMILES for 2-N-(3-morpholin-4-ylpropyl)-4,5-dihydroimidazole-1,2-diamine is NN1CCN=C1NCCCN1CCOCC1.
What is the InChIKey of 2-N-(3-morpholin-4-ylpropyl)-4,5-dihydroimidazole-1,2-diamine?
The InChIKey is JQDZICRAFYQDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O/c11-15-5-3-13-10(15)12-2-1-4-14-6-8-16-9-7-14/h1-9,11H2,(H,12,13).
What are the key properties of 2-N-(3-morpholin-4-ylpropyl)-4,5-dihydroimidazole-1,2-diamine?
2-N-(3-morpholin-4-ylpropyl)-4,5-dihydroimidazole-1,2-diamine has a molecular weight of 227.31 g/mol, XLogP of -1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-morpholin-4-ylpropyl)-4,5-dihydroimidazole-1,2-diamine is sourced from PubChem (CID 19785377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).