4-morpholin-4-ylbutanimidamide

C8H17N3O — CID 24704187

IUPAC4-morpholin-4-ylbutanimidamide
SMILES[H]/N=C(\N)CCCN1CCOCC1
InChIInChI=1S/C8H17N3O/c9-8(10)2-1-3-11-4-6-12-7-5-11/h1-7H2,(H3,9,10)
InChIKeyPNBQHGUQJREHCZ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.03
Rot. Bonds4

About 4-morpholin-4-ylbutanimidamide

4-morpholin-4-ylbutanimidamide (PubChem CID 24704187) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-morpholin-4-ylbutanimidamide.

Molecular Properties

Compound Name4-morpholin-4-ylbutanimidamide
PubChem CID24704187
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name4-morpholin-4-ylbutanimidamide
SMILES[H]/N=C(\N)CCCN1CCOCC1
InChIInChI=1S/C8H17N3O/c9-8(10)2-1-3-11-4-6-12-7-5-11/h1-7H2,(H3,9,10)
InChIKeyPNBQHGUQJREHCZ-UHFFFAOYSA-N
XLogP0.03
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-morpholin-4-ylbutanimidamide 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 4-morpholin-4-ylbutanimidamide?
The IUPAC name of 4-morpholin-4-ylbutanimidamide (CID 24704187) is 4-morpholin-4-ylbutanimidamide.
What is the SMILES notation for 4-morpholin-4-ylbutanimidamide?
The canonical SMILES for 4-morpholin-4-ylbutanimidamide is [H]/N=C(\N)CCCN1CCOCC1.
What is the InChIKey of 4-morpholin-4-ylbutanimidamide?
The InChIKey is PNBQHGUQJREHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c9-8(10)2-1-3-11-4-6-12-7-5-11/h1-7H2,(H3,9,10).
What are the key properties of 4-morpholin-4-ylbutanimidamide?
4-morpholin-4-ylbutanimidamide has a molecular weight of 171.24 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylbutanimidamide is sourced from PubChem (CID 24704187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).