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

C12H23N3O — CID 77045522

IUPAC3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NC1CC2CCC1C2
InChIInChI=1S/C12H23N3O/c1-2-10(7-12(13)15-16)14-11-6-8-3-4-9(11)5-8/h8-11,14,16H,2-7H2,1H3,(H2,13,15)
InChIKeyZBDKRRQUWBJJRO-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.68
Rot. Bonds5

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

3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypentanimidamide (PubChem CID 77045522) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypentanimidamide
PubChem CID77045522
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NC1CC2CCC1C2
InChIInChI=1S/C12H23N3O/c1-2-10(7-12(13)15-16)14-11-6-8-3-4-9(11)5-8/h8-11,14,16H,2-7H2,1H3,(H2,13,15)
InChIKeyZBDKRRQUWBJJRO-UHFFFAOYSA-N
XLogP1.68
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.68
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'-hydroxypentanimidamide?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypentanimidamide (CID 77045522) is 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypentanimidamide?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypentanimidamide is CCC(CC(N)=NO)NC1CC2CCC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypentanimidamide?
The InChIKey is ZBDKRRQUWBJJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-2-10(7-12(13)15-16)14-11-6-8-3-4-9(11)5-8/h8-11,14,16H,2-7H2,1H3,(H2,13,15).
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypentanimidamide?
3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypentanimidamide has a molecular weight of 225.34 g/mol, XLogP of 1.68, 5 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'-hydroxypentanimidamide is sourced from PubChem (CID 77045522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).