N'-hydroxy-2,2-dimethylcyclopropane-1-carboximidamide

C6H12N2O — CID 11400779

IUPACN'-hydroxy-2,2-dimethylcyclopropane-1-carboximidamide
SMILESCC1(C)CC1/C(N)=N\O
InChIInChI=1S/C6H12N2O/c1-6(2)3-4(6)5(7)8-9/h4,9H,3H2,1-2H3,(H2,7,8)
InChIKeyAUICVUZUHQWWGO-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.78
Rot. Bonds1

About N'-hydroxy-2,2-dimethylcyclopropane-1-carboximidamide

N'-hydroxy-2,2-dimethylcyclopropane-1-carboximidamide (PubChem CID 11400779) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethylcyclopropane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethylcyclopropane-1-carboximidamide
PubChem CID11400779
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN'-hydroxy-2,2-dimethylcyclopropane-1-carboximidamide
SMILESCC1(C)CC1/C(N)=N\O
InChIInChI=1S/C6H12N2O/c1-6(2)3-4(6)5(7)8-9/h4,9H,3H2,1-2H3,(H2,7,8)
InChIKeyAUICVUZUHQWWGO-UHFFFAOYSA-N
XLogP0.78
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.78
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'-hydroxy-2,2-dimethylcyclopropane-1-carboximidamide?
The IUPAC name of N'-hydroxy-2,2-dimethylcyclopropane-1-carboximidamide (CID 11400779) is N'-hydroxy-2,2-dimethylcyclopropane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethylcyclopropane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethylcyclopropane-1-carboximidamide is CC1(C)CC1/C(N)=N\O.
What is the InChIKey of N'-hydroxy-2,2-dimethylcyclopropane-1-carboximidamide?
The InChIKey is AUICVUZUHQWWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-6(2)3-4(6)5(7)8-9/h4,9H,3H2,1-2H3,(H2,7,8).
What are the key properties of N'-hydroxy-2,2-dimethylcyclopropane-1-carboximidamide?
N'-hydroxy-2,2-dimethylcyclopropane-1-carboximidamide has a molecular weight of 128.17 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethylcyclopropane-1-carboximidamide is sourced from PubChem (CID 11400779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).