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

C13H25N3O — CID 77028264

IUPAC5-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypentanimidamide
SMILESNC(CCCCNCC1CC2CCC1C2)=NO
InChIInChI=1S/C13H25N3O/c14-13(16-17)3-1-2-6-15-9-12-8-10-4-5-11(12)7-10/h10-12,15,17H,1-9H2,(H2,14,16)
InChIKeyZPMHKOOLRYZUTK-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.93
Rot. Bonds7

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

5-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypentanimidamide (PubChem CID 77028264) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypentanimidamide
PubChem CID77028264
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name5-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypentanimidamide
SMILESNC(CCCCNCC1CC2CCC1C2)=NO
InChIInChI=1S/C13H25N3O/c14-13(16-17)3-1-2-6-15-9-12-8-10-4-5-11(12)7-10/h10-12,15,17H,1-9H2,(H2,14,16)
InChIKeyZPMHKOOLRYZUTK-UHFFFAOYSA-N
XLogP1.93
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.93
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]heptanylmethylamino)-N'-hydroxypentanimidamide?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypentanimidamide (CID 77028264) is 5-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypentanimidamide?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypentanimidamide is NC(CCCCNCC1CC2CCC1C2)=NO.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypentanimidamide?
The InChIKey is ZPMHKOOLRYZUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c14-13(16-17)3-1-2-6-15-9-12-8-10-4-5-11(12)7-10/h10-12,15,17H,1-9H2,(H2,14,16).
What are the key properties of 5-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypentanimidamide?
5-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypentanimidamide has a molecular weight of 239.36 g/mol, XLogP of 1.93, 7 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]heptanylmethylamino)-N'-hydroxypentanimidamide is sourced from PubChem (CID 77028264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).