2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)benzenecarboximidamide

C14H19N3 — CID 54980724

IUPAC2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1CN1CC2CCC1C2
InChIInChI=1S/C14H19N3/c15-14(16)13-4-2-1-3-11(13)9-17-8-10-5-6-12(17)7-10/h1-4,10,12H,5-9H2,(H3,15,16)
InChIKeyLCMOHCXCOXAEFI-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.95
Rot. Bonds3

About 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)benzenecarboximidamide

2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)benzenecarboximidamide (PubChem CID 54980724) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)benzenecarboximidamide
PubChem CID54980724
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1CN1CC2CCC1C2
InChIInChI=1S/C14H19N3/c15-14(16)13-4-2-1-3-11(13)9-17-8-10-5-6-12(17)7-10/h1-4,10,12H,5-9H2,(H3,15,16)
InChIKeyLCMOHCXCOXAEFI-UHFFFAOYSA-N
XLogP1.95
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)benzenecarboximidamide?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)benzenecarboximidamide (CID 54980724) is 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)benzenecarboximidamide.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)benzenecarboximidamide?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccccc1CN1CC2CCC1C2.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)benzenecarboximidamide?
The InChIKey is LCMOHCXCOXAEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c15-14(16)13-4-2-1-3-11(13)9-17-8-10-5-6-12(17)7-10/h1-4,10,12H,5-9H2,(H3,15,16).
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)benzenecarboximidamide?
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)benzenecarboximidamide has a molecular weight of 229.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)benzenecarboximidamide is sourced from PubChem (CID 54980724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).