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

C11H21N3O — CID 77045501

IUPAC3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CNC1CC2CCC1C2)C(N)=NO
InChIInChI=1S/C11H21N3O/c1-7(11(12)14-15)6-13-10-5-8-2-3-9(10)4-8/h7-10,13,15H,2-6H2,1H3,(H2,12,14)
InChIKeyVACNMWPOIOWBEW-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.15
Rot. Bonds4

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

3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 77045501) 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'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-2-methylpropanimidamide
PubChem CID77045501
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CNC1CC2CCC1C2)C(N)=NO
InChIInChI=1S/C11H21N3O/c1-7(11(12)14-15)6-13-10-5-8-2-3-9(10)4-8/h7-10,13,15H,2-6H2,1H3,(H2,12,14)
InChIKeyVACNMWPOIOWBEW-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
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'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-2-methylpropanimidamide (CID 77045501) is 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-2-methylpropanimidamide is CC(CNC1CC2CCC1C2)C(N)=NO.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is VACNMWPOIOWBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-7(11(12)14-15)6-13-10-5-8-2-3-9(10)4-8/h7-10,13,15H,2-6H2,1H3,(H2,12,14).
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-2-methylpropanimidamide?
3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 211.31 g/mol, XLogP of 1.15, 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'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 77045501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).