N'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide

C14H25N3O — CID 62363391

IUPACN'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide
SMILESN/C(=N\C1CCCCC1)N1CCOC2CCCC21
InChIInChI=1S/C14H25N3O/c15-14(16-11-5-2-1-3-6-11)17-9-10-18-13-8-4-7-12(13)17/h11-13H,1-10H2,(H2,15,16)
InChIKeyLTQXVYCWGFBZNK-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.89
Rot. Bonds1

About N'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide

N'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide (PubChem CID 62363391) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide.

Molecular Properties

Compound NameN'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide
PubChem CID62363391
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide
SMILESN/C(=N\C1CCCCC1)N1CCOC2CCCC21
InChIInChI=1S/C14H25N3O/c15-14(16-11-5-2-1-3-6-11)17-9-10-18-13-8-4-7-12(13)17/h11-13H,1-10H2,(H2,15,16)
InChIKeyLTQXVYCWGFBZNK-UHFFFAOYSA-N
XLogP1.89
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
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 N'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide?
The IUPAC name of N'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide (CID 62363391) is N'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide.
What is the SMILES notation for N'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide?
The canonical SMILES for N'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide is N/C(=N\C1CCCCC1)N1CCOC2CCCC21.
What is the InChIKey of N'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide?
The InChIKey is LTQXVYCWGFBZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c15-14(16-11-5-2-1-3-6-11)17-9-10-18-13-8-4-7-12(13)17/h11-13H,1-10H2,(H2,15,16).
What are the key properties of N'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide?
N'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide has a molecular weight of 251.37 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide is sourced from PubChem (CID 62363391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).