2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide

C14H19N3O — CID 54980628

IUPAC2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccccc1CN1CC2CCC1C2
InChIInChI=1S/C14H19N3O/c15-14(16-18)13-4-2-1-3-11(13)9-17-8-10-5-6-12(17)7-10/h1-4,10,12,18H,5-9H2,(H2,15,16)
InChIKeyZHQCMRKFZMOJRZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.77
Rot. Bonds3

About 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide

2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide (PubChem CID 54980628) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide
PubChem CID54980628
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccccc1CN1CC2CCC1C2
InChIInChI=1S/C14H19N3O/c15-14(16-18)13-4-2-1-3-11(13)9-17-8-10-5-6-12(17)7-10/h1-4,10,12,18H,5-9H2,(H2,15,16)
InChIKeyZHQCMRKFZMOJRZ-UHFFFAOYSA-N
XLogP1.77
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)benzenecarboximidamide
CID 54980724
3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 54980627
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 82749636
N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 61406641
N'-hydroxy-2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 102781413
2-[(2-ethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 43266553
3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)pyridine-2-carbothioamide
CID 55128508
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 76975855
2-(2-azabicyclo[2.2.1]heptan-2-yl)-N'-hydroxypyridine-3-carboximidamide
CID 54980530
2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 55158359
(1S,4S)-2-[[2-(1H-imidazol-2-yl)phenyl]methyl]-2-azabicyclo[2.2.1]heptane
CID 45186313
[3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-pyridinyl]hydrazine
CID 62469705

Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide (CID 54980628) is 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccccc1CN1CC2CCC1C2.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is ZHQCMRKFZMOJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-14(16-18)13-4-2-1-3-11(13)9-17-8-10-5-6-12(17)7-10/h1-4,10,12,18H,5-9H2,(H2,15,16).
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide?
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 245.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 54980628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).