3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxybutanimidamide

C11H21N3O — CID 77045511

IUPAC3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)NC1CC2CCC1C2
InChIInChI=1S/C11H21N3O/c1-7(4-11(12)14-15)13-10-6-8-2-3-9(10)5-8/h7-10,13,15H,2-6H2,1H3,(H2,12,14)
InChIKeyDLHQLLPXPXUTSH-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.29
Rot. Bonds4

About 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxybutanimidamide

3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxybutanimidamide (PubChem CID 77045511) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxybutanimidamide
PubChem CID77045511
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)NC1CC2CCC1C2
InChIInChI=1S/C11H21N3O/c1-7(4-11(12)14-15)13-10-6-8-2-3-9(10)5-8/h7-10,13,15H,2-6H2,1H3,(H2,12,14)
InChIKeyDLHQLLPXPXUTSH-UHFFFAOYSA-N
XLogP1.29
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.29
H-Bond Donors ≤ 53
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-bicyclo[2.2.1]heptanylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxybutanimidamide (CID 77045511) is 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxybutanimidamide is CC(CC(N)=NO)NC1CC2CCC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxybutanimidamide?
The InChIKey is DLHQLLPXPXUTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-7(4-11(12)14-15)13-10-6-8-2-3-9(10)5-8/h7-10,13,15H,2-6H2,1H3,(H2,12,14).
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxybutanimidamide?
3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxybutanimidamide has a molecular weight of 211.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 77045511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).