4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N'-hydroxybutanimidamide

C12H24N4O — CID 77031464

IUPAC4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N'-hydroxybutanimidamide
SMILESNC(CCCNC1CCN2CCCCC12)=NO
InChIInChI=1S/C12H24N4O/c13-12(15-17)5-3-7-14-10-6-9-16-8-2-1-4-11(10)16/h10-11,14,17H,1-9H2,(H2,13,15)
InChIKeyJOLJDMSDORRYGR-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.73
Rot. Bonds5

About 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N'-hydroxybutanimidamide

4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N'-hydroxybutanimidamide (PubChem CID 77031464) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N'-hydroxybutanimidamide
PubChem CID77031464
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N'-hydroxybutanimidamide
SMILESNC(CCCNC1CCN2CCCCC12)=NO
InChIInChI=1S/C12H24N4O/c13-12(15-17)5-3-7-14-10-6-9-16-8-2-1-4-11(10)16/h10-11,14,17H,1-9H2,(H2,13,15)
InChIKeyJOLJDMSDORRYGR-UHFFFAOYSA-N
XLogP0.73
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N'-hydroxybutanimidamide 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-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N'-hydroxybutanimidamide (CID 77031464) is 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N'-hydroxybutanimidamide is NC(CCCNC1CCN2CCCCC12)=NO.
What is the InChIKey of 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N'-hydroxybutanimidamide?
The InChIKey is JOLJDMSDORRYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c13-12(15-17)5-3-7-14-10-6-9-16-8-2-1-4-11(10)16/h10-11,14,17H,1-9H2,(H2,13,15).
What are the key properties of 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N'-hydroxybutanimidamide?
4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N'-hydroxybutanimidamide has a molecular weight of 240.35 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 77031464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).