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

C9H17N3O — CID 66391920

IUPAC3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanimidamide
SMILES[H]/N=C(\N)CCN1CC2CCC(C1)O2
InChIInChI=1S/C9H17N3O/c10-9(11)3-4-12-5-7-1-2-8(6-12)13-7/h7-8H,1-6H2,(H3,10,11)
InChIKeyGJUZHMDATOAAID-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.18
Rot. Bonds3

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

3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanimidamide (PubChem CID 66391920) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanimidamide.

Molecular Properties

Compound Name3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanimidamide
PubChem CID66391920
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanimidamide
SMILES[H]/N=C(\N)CCN1CC2CCC(C1)O2
InChIInChI=1S/C9H17N3O/c10-9(11)3-4-12-5-7-1-2-8(6-12)13-7/h7-8H,1-6H2,(H3,10,11)
InChIKeyGJUZHMDATOAAID-UHFFFAOYSA-N
XLogP0.18
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.18
H-Bond Donors ≤ 52
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-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanimidamide?
The IUPAC name of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanimidamide (CID 66391920) is 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanimidamide.
What is the SMILES notation for 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanimidamide?
The canonical SMILES for 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanimidamide is [H]/N=C(\N)CCN1CC2CCC(C1)O2.
What is the InChIKey of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanimidamide?
The InChIKey is GJUZHMDATOAAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c10-9(11)3-4-12-5-7-1-2-8(6-12)13-7/h7-8H,1-6H2,(H3,10,11).
What are the key properties of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanimidamide?
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanimidamide has a molecular weight of 183.25 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanimidamide is sourced from PubChem (CID 66391920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).