5-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypentanimidamide

C12H23N3O — CID 77045523

IUPAC5-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypentanimidamide
SMILESNC(CCCCNC1CC2CCC1C2)=NO
InChIInChI=1S/C12H23N3O/c13-12(15-16)3-1-2-6-14-11-8-9-4-5-10(11)7-9/h9-11,14,16H,1-8H2,(H2,13,15)
InChIKeyMKXFZZAXIJSVJA-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.68
Rot. Bonds6

About 5-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypentanimidamide

5-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypentanimidamide (PubChem CID 77045523) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypentanimidamide
PubChem CID77045523
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name5-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypentanimidamide
SMILESNC(CCCCNC1CC2CCC1C2)=NO
InChIInChI=1S/C12H23N3O/c13-12(15-16)3-1-2-6-14-11-8-9-4-5-10(11)7-9/h9-11,14,16H,1-8H2,(H2,13,15)
InChIKeyMKXFZZAXIJSVJA-UHFFFAOYSA-N
XLogP1.68
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 5-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypentanimidamide?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypentanimidamide (CID 77045523) is 5-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypentanimidamide?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypentanimidamide is NC(CCCCNC1CC2CCC1C2)=NO.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypentanimidamide?
The InChIKey is MKXFZZAXIJSVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c13-12(15-16)3-1-2-6-14-11-8-9-4-5-10(11)7-9/h9-11,14,16H,1-8H2,(H2,13,15).
What are the key properties of 5-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypentanimidamide?
5-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypentanimidamide has a molecular weight of 225.34 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxypentanimidamide is sourced from PubChem (CID 77045523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).