2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanimidamide

C7H13N3O — CID 127008805

IUPAC2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanimidamide
SMILES[H]/N=C(\N)CN1CC2CC1CO2
InChIInChI=1S/C7H13N3O/c8-7(9)3-10-2-6-1-5(10)4-11-6/h5-6H,1-4H2,(H3,8,9)
InChIKeyZWECXQUSJXVEGB-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.60
Rot. Bonds2

About 2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanimidamide

2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanimidamide (PubChem CID 127008805) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanimidamide.

Molecular Properties

Compound Name2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanimidamide
PubChem CID127008805
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanimidamide
SMILES[H]/N=C(\N)CN1CC2CC1CO2
InChIInChI=1S/C7H13N3O/c8-7(9)3-10-2-6-1-5(10)4-11-6/h5-6H,1-4H2,(H3,8,9)
InChIKeyZWECXQUSJXVEGB-UHFFFAOYSA-N
XLogP-0.60
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.60
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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Related Compounds

N'-hydroxy-2-[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanimidamide
CID 129321508
2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)acetic acid
CID 84763815
2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)cyclopentan-1-ol
CID 130769883
2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]acetaldehyde
CID 87332082
(2S)-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)butan-2-ol
CID 130875116
1,1,1-trifluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol
CID 127008809
1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propane-2-thiol
CID 175628714
5-(2-methylbutyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 90758578
ethyl 3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propanoate;hydrochloride
CID 134821003
5-benzyl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 16638341
2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)aniline
CID 84777945
(1S,4S)-5-(4-methylpent-2-ynyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 176599676

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanimidamide?
The IUPAC name of 2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanimidamide (CID 127008805) is 2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanimidamide.
What is the SMILES notation for 2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanimidamide?
The canonical SMILES for 2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanimidamide is [H]/N=C(\N)CN1CC2CC1CO2.
What is the InChIKey of 2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanimidamide?
The InChIKey is ZWECXQUSJXVEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c8-7(9)3-10-2-6-1-5(10)4-11-6/h5-6H,1-4H2,(H3,8,9).
What are the key properties of 2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanimidamide?
2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanimidamide has a molecular weight of 155.20 g/mol, XLogP of -0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanimidamide is sourced from PubChem (CID 127008805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).