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

C13H23N3O — CID 55064250

IUPACN'-cyclopentyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide
SMILESN/C(=N\C1CCCC1)N1CCOC2CCCC21
InChIInChI=1S/C13H23N3O/c14-13(15-10-4-1-2-5-10)16-8-9-17-12-7-3-6-11(12)16/h10-12H,1-9H2,(H2,14,15)
InChIKeyPLIFBVHKGNAZLT-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.50
Rot. Bonds1

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

N'-cyclopentyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide (PubChem CID 55064250) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N'-cyclopentyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide.

Molecular Properties

Compound NameN'-cyclopentyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide
PubChem CID55064250
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN'-cyclopentyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide
SMILESN/C(=N\C1CCCC1)N1CCOC2CCCC21
InChIInChI=1S/C13H23N3O/c14-13(15-10-4-1-2-5-10)16-8-9-17-12-7-3-6-11(12)16/h10-12H,1-9H2,(H2,14,15)
InChIKeyPLIFBVHKGNAZLT-UHFFFAOYSA-N
XLogP1.50
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.50
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide?
The IUPAC name of N'-cyclopentyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide (CID 55064250) is N'-cyclopentyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide.
What is the SMILES notation for N'-cyclopentyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide?
The canonical SMILES for N'-cyclopentyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide is N/C(=N\C1CCCC1)N1CCOC2CCCC21.
What is the InChIKey of N'-cyclopentyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide?
The InChIKey is PLIFBVHKGNAZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c14-13(15-10-4-1-2-5-10)16-8-9-17-12-7-3-6-11(12)16/h10-12H,1-9H2,(H2,14,15).
What are the key properties of N'-cyclopentyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide?
N'-cyclopentyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide has a molecular weight of 237.35 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide is sourced from PubChem (CID 55064250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).