1-amino-N'-hydroxycyclooctane-1-carboximidamide

C9H19N3O — CID 77052226

IUPAC1-amino-N'-hydroxycyclooctane-1-carboximidamide
SMILESNC(=NO)C1(N)CCCCCCC1
InChIInChI=1S/C9H19N3O/c10-8(12-13)9(11)6-4-2-1-3-5-7-9/h13H,1-7,11H2,(H2,10,12)
InChIKeyHXXIGUVQLFKNNP-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.17
Rot. Bonds1

About 1-amino-N'-hydroxycyclooctane-1-carboximidamide

1-amino-N'-hydroxycyclooctane-1-carboximidamide (PubChem CID 77052226) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-amino-N'-hydroxycyclooctane-1-carboximidamide.

Molecular Properties

Compound Name1-amino-N'-hydroxycyclooctane-1-carboximidamide
PubChem CID77052226
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-amino-N'-hydroxycyclooctane-1-carboximidamide
SMILESNC(=NO)C1(N)CCCCCCC1
InChIInChI=1S/C9H19N3O/c10-8(12-13)9(11)6-4-2-1-3-5-7-9/h13H,1-7,11H2,(H2,10,12)
InChIKeyHXXIGUVQLFKNNP-UHFFFAOYSA-N
XLogP1.17
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 1-amino-N'-hydroxycyclooctane-1-carboximidamide 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 1-amino-N'-hydroxycyclooctane-1-carboximidamide?
The IUPAC name of 1-amino-N'-hydroxycyclooctane-1-carboximidamide (CID 77052226) is 1-amino-N'-hydroxycyclooctane-1-carboximidamide.
What is the SMILES notation for 1-amino-N'-hydroxycyclooctane-1-carboximidamide?
The canonical SMILES for 1-amino-N'-hydroxycyclooctane-1-carboximidamide is NC(=NO)C1(N)CCCCCCC1.
What is the InChIKey of 1-amino-N'-hydroxycyclooctane-1-carboximidamide?
The InChIKey is HXXIGUVQLFKNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c10-8(12-13)9(11)6-4-2-1-3-5-7-9/h13H,1-7,11H2,(H2,10,12).
What are the key properties of 1-amino-N'-hydroxycyclooctane-1-carboximidamide?
1-amino-N'-hydroxycyclooctane-1-carboximidamide has a molecular weight of 185.27 g/mol, XLogP of 1.17, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N'-hydroxycyclooctane-1-carboximidamide is sourced from PubChem (CID 77052226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).