N'-methanimidoyl-2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethanimidamide

C11H18N4O — CID 144518524

IUPACN'-methanimidoyl-2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethanimidamide
SMILES[H]/N=C/N=C(\N)C(=O)N1C2CCC1CC(C)C2
InChIInChI=1S/C11H18N4O/c1-7-4-8-2-3-9(5-7)15(8)11(16)10(13)14-6-12/h6-9H,2-5H2,1H3,(H3,12,13,14)
InChIKeyYHBSMXMVWBOING-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.74
Rot. Bonds1

About N'-methanimidoyl-2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethanimidamide

N'-methanimidoyl-2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethanimidamide (PubChem CID 144518524) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N'-methanimidoyl-2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethanimidamide.

Molecular Properties

Compound NameN'-methanimidoyl-2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethanimidamide
PubChem CID144518524
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN'-methanimidoyl-2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethanimidamide
SMILES[H]/N=C/N=C(\N)C(=O)N1C2CCC1CC(C)C2
InChIInChI=1S/C11H18N4O/c1-7-4-8-2-3-9(5-7)15(8)11(16)10(13)14-6-12/h6-9H,2-5H2,1H3,(H3,12,13,14)
InChIKeyYHBSMXMVWBOING-UHFFFAOYSA-N
XLogP0.74
TPSA82.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-methanimidoyl-2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethanimidamide 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'-methanimidoyl-2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethanimidamide?
The IUPAC name of N'-methanimidoyl-2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethanimidamide (CID 144518524) is N'-methanimidoyl-2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethanimidamide.
What is the SMILES notation for N'-methanimidoyl-2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethanimidamide?
The canonical SMILES for N'-methanimidoyl-2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethanimidamide is [H]/N=C/N=C(\N)C(=O)N1C2CCC1CC(C)C2.
What is the InChIKey of N'-methanimidoyl-2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethanimidamide?
The InChIKey is YHBSMXMVWBOING-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-4-8-2-3-9(5-7)15(8)11(16)10(13)14-6-12/h6-9H,2-5H2,1H3,(H3,12,13,14).
What are the key properties of N'-methanimidoyl-2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethanimidamide?
N'-methanimidoyl-2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethanimidamide has a molecular weight of 222.29 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methanimidoyl-2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethanimidamide is sourced from PubChem (CID 144518524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).