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

C10H19N3O — CID 63764003

IUPAC3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide
SMILES[H]/N=C(\N)CCN1C2CCC1CC(O)C2
InChIInChI=1S/C10H19N3O/c11-10(12)3-4-13-7-1-2-8(13)6-9(14)5-7/h7-9,14H,1-6H2,(H3,11,12)
InChIKeyRWJOSONPWJSHNF-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.30
Rot. Bonds3

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

3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide (PubChem CID 63764003) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide.

Molecular Properties

Compound Name3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide
PubChem CID63764003
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide
SMILES[H]/N=C(\N)CCN1C2CCC1CC(O)C2
InChIInChI=1S/C10H19N3O/c11-10(12)3-4-13-7-1-2-8(13)6-9(14)5-7/h7-9,14H,1-6H2,(H3,11,12)
InChIKeyRWJOSONPWJSHNF-UHFFFAOYSA-N
XLogP0.30
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.30
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide?
The IUPAC name of 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide (CID 63764003) is 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide.
What is the SMILES notation for 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide?
The canonical SMILES for 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide is [H]/N=C(\N)CCN1C2CCC1CC(O)C2.
What is the InChIKey of 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide?
The InChIKey is RWJOSONPWJSHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c11-10(12)3-4-13-7-1-2-8(13)6-9(14)5-7/h7-9,14H,1-6H2,(H3,11,12).
What are the key properties of 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide?
3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide has a molecular weight of 197.28 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide is sourced from PubChem (CID 63764003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).