3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide

C14H19N3O — CID 54980627

IUPAC3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cccc(CN2CC3CCC2C3)c1
InChIInChI=1S/C14H19N3O/c15-14(16-18)12-3-1-2-10(6-12)8-17-9-11-4-5-13(17)7-11/h1-3,6,11,13,18H,4-5,7-9H2,(H2,15,16)
InChIKeyGDCIKKJXZSEORX-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.77
Rot. Bonds3

About 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide

3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide (PubChem CID 54980627) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide
PubChem CID54980627
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cccc(CN2CC3CCC2C3)c1
InChIInChI=1S/C14H19N3O/c15-14(16-18)12-3-1-2-10(6-12)8-17-9-11-4-5-13(17)7-11/h1-3,6,11,13,18H,4-5,7-9H2,(H2,15,16)
InChIKeyGDCIKKJXZSEORX-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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Frequently Asked Questions

What is the IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide (CID 54980627) is 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide is NC(=NO)c1cccc(CN2CC3CCC2C3)c1.
What is the InChIKey of 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is GDCIKKJXZSEORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-14(16-18)12-3-1-2-10(6-12)8-17-9-11-4-5-13(17)7-11/h1-3,6,11,13,18H,4-5,7-9H2,(H2,15,16).
What are the key properties of 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide?
3-(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 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 54980627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).