N'-hydroxyadamantane-1-carboximidamide

C11H18N2O — CID 6019767

IUPACN'-hydroxyadamantane-1-carboximidamide
SMILESN/C(=N/O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H18N2O/c12-10(13-14)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9,14H,1-6H2,(H2,12,13)
InChIKeyISVFJWIOFPUALW-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.95
Rot. Bonds1

About N'-hydroxyadamantane-1-carboximidamide

N'-hydroxyadamantane-1-carboximidamide (PubChem CID 6019767) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N'-hydroxyadamantane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxyadamantane-1-carboximidamide
PubChem CID6019767
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN'-hydroxyadamantane-1-carboximidamide
SMILESN/C(=N/O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H18N2O/c12-10(13-14)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9,14H,1-6H2,(H2,12,13)
InChIKeyISVFJWIOFPUALW-UHFFFAOYSA-N
XLogP1.95
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.95
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxyadamantane-1-carboximidamide?
The IUPAC name of N'-hydroxyadamantane-1-carboximidamide (CID 6019767) is N'-hydroxyadamantane-1-carboximidamide.
What is the SMILES notation for N'-hydroxyadamantane-1-carboximidamide?
The canonical SMILES for N'-hydroxyadamantane-1-carboximidamide is N/C(=N/O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-hydroxyadamantane-1-carboximidamide?
The InChIKey is ISVFJWIOFPUALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c12-10(13-14)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9,14H,1-6H2,(H2,12,13).
What are the key properties of N'-hydroxyadamantane-1-carboximidamide?
N'-hydroxyadamantane-1-carboximidamide has a molecular weight of 194.28 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxyadamantane-1-carboximidamide is sourced from PubChem (CID 6019767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).