3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide;hydrochloride

C8H16ClN3O — CID 122163365

IUPAC3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CCOC2CCCC21
InChIInChI=1S/C8H15N3O.ClH/c9-8(10)11-4-5-12-7-3-1-2-6(7)11;/h6-7H,1-5H2,(H3,9,10);1H
InChIKeyKEAOUNYLGDYZMN-UHFFFAOYSA-N
MW205.69 g/mol
LogP0.55
Rot. Bonds

About 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide;hydrochloride

3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide;hydrochloride (PubChem CID 122163365) has the molecular formula C8H16ClN3O and a molecular weight of 205.69 g/mol. Its IUPAC name is 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide;hydrochloride.

Molecular Properties

Compound Name3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide;hydrochloride
PubChem CID122163365
Molecular FormulaC8H16ClN3O
Molecular Weight205.69 g/mol
Exact Mass205.10
IUPAC Name3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CCOC2CCCC21
InChIInChI=1S/C8H15N3O.ClH/c9-8(10)11-4-5-12-7-3-1-2-6(7)11;/h6-7H,1-5H2,(H3,9,10);1H
InChIKeyKEAOUNYLGDYZMN-UHFFFAOYSA-N
XLogP0.55
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide;hydrochloride?
The IUPAC name of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide;hydrochloride (CID 122163365) is 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide;hydrochloride.
What is the SMILES notation for 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide;hydrochloride?
The canonical SMILES for 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)N1CCOC2CCCC21.
What is the InChIKey of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide;hydrochloride?
The InChIKey is KEAOUNYLGDYZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O.ClH/c9-8(10)11-4-5-12-7-3-1-2-6(7)11;/h6-7H,1-5H2,(H3,9,10);1H.
What are the key properties of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide;hydrochloride?
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide;hydrochloride has a molecular weight of 205.69 g/mol, XLogP of 0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide;hydrochloride is sourced from PubChem (CID 122163365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).