N'-hydroxy-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide

C10H19N3O2 — CID 3057121

IUPACN'-hydroxy-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide
SMILESNC(CCN1C2CCC1CC(O)C2)=NO
InChIInChI=1S/C10H19N3O2/c11-10(12-15)3-4-13-7-1-2-8(13)6-9(14)5-7/h7-9,14-15H,1-6H2,(H2,11,12)
InChIKeyDFXAYHVELVUPEU-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.11
Rot. Bonds3

About N'-hydroxy-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide

N'-hydroxy-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide (PubChem CID 3057121) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N'-hydroxy-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide
PubChem CID3057121
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN'-hydroxy-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide
SMILESNC(CCN1C2CCC1CC(O)C2)=NO
InChIInChI=1S/C10H19N3O2/c11-10(12-15)3-4-13-7-1-2-8(13)6-9(14)5-7/h7-9,14-15H,1-6H2,(H2,11,12)
InChIKeyDFXAYHVELVUPEU-UHFFFAOYSA-N
XLogP0.11
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N'-hydroxy-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide?
The IUPAC name of N'-hydroxy-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide (CID 3057121) is N'-hydroxy-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide is NC(CCN1C2CCC1CC(O)C2)=NO.
What is the InChIKey of N'-hydroxy-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide?
The InChIKey is DFXAYHVELVUPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c11-10(12-15)3-4-13-7-1-2-8(13)6-9(14)5-7/h7-9,14-15H,1-6H2,(H2,11,12).
What are the key properties of N'-hydroxy-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide?
N'-hydroxy-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide has a molecular weight of 213.28 g/mol, XLogP of 0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide is sourced from PubChem (CID 3057121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).