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

C10H19N3O — CID 77045521

IUPAC3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypropanimidamide
SMILESNC(CCNC1CC2CCC1C2)=NO
InChIInChI=1S/C10H19N3O/c11-10(13-14)3-4-12-9-6-7-1-2-8(9)5-7/h7-9,12,14H,1-6H2,(H2,11,13)
InChIKeyOCTBVXMUFSAGSP-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.90
Rot. Bonds4

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

3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypropanimidamide (PubChem CID 77045521) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypropanimidamide
PubChem CID77045521
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypropanimidamide
SMILESNC(CCNC1CC2CCC1C2)=NO
InChIInChI=1S/C10H19N3O/c11-10(13-14)3-4-12-9-6-7-1-2-8(9)5-7/h7-9,12,14H,1-6H2,(H2,11,13)
InChIKeyOCTBVXMUFSAGSP-UHFFFAOYSA-N
XLogP0.90
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.90
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'-hydroxypropanimidamide?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypropanimidamide (CID 77045521) is 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypropanimidamide is NC(CCNC1CC2CCC1C2)=NO.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypropanimidamide?
The InChIKey is OCTBVXMUFSAGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c11-10(13-14)3-4-12-9-6-7-1-2-8(9)5-7/h7-9,12,14H,1-6H2,(H2,11,13).
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypropanimidamide?
3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypropanimidamide has a molecular weight of 197.28 g/mol, XLogP of 0.90, 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'-hydroxypropanimidamide is sourced from PubChem (CID 77045521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).