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

C12H23N3O — CID 62362360

IUPACN'-tert-butyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide
SMILESCC(C)(C)/N=C(\N)N1CCOC2CCCC21
InChIInChI=1S/C12H23N3O/c1-12(2,3)14-11(13)15-7-8-16-10-6-4-5-9(10)15/h9-10H,4-8H2,1-3H3,(H2,13,14)
InChIKeyKMTZRRAINNDITI-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.35
Rot. Bonds

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

N'-tert-butyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide (PubChem CID 62362360) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N'-tert-butyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide.

Molecular Properties

Compound NameN'-tert-butyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide
PubChem CID62362360
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN'-tert-butyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide
SMILESCC(C)(C)/N=C(\N)N1CCOC2CCCC21
InChIInChI=1S/C12H23N3O/c1-12(2,3)14-11(13)15-7-8-16-10-6-4-5-9(10)15/h9-10H,4-8H2,1-3H3,(H2,13,14)
InChIKeyKMTZRRAINNDITI-UHFFFAOYSA-N
XLogP1.35
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.35
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'-tert-butyl-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'-tert-butyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide?
The IUPAC name of N'-tert-butyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide (CID 62362360) is N'-tert-butyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide.
What is the SMILES notation for N'-tert-butyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide?
The canonical SMILES for N'-tert-butyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide is CC(C)(C)/N=C(\N)N1CCOC2CCCC21.
What is the InChIKey of N'-tert-butyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide?
The InChIKey is KMTZRRAINNDITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-12(2,3)14-11(13)15-7-8-16-10-6-4-5-9(10)15/h9-10H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of N'-tert-butyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide?
N'-tert-butyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide has a molecular weight of 225.34 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide is sourced from PubChem (CID 62362360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).