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

C11H19N3O — CID 62362359

IUPACN'-cyclopropyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide
SMILESN/C(=N\C1CC1)N1CCOC2CCCC21
InChIInChI=1S/C11H19N3O/c12-11(13-8-4-5-8)14-6-7-15-10-3-1-2-9(10)14/h8-10H,1-7H2,(H2,12,13)
InChIKeyIGHSEUCVTGEDEW-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.72
Rot. Bonds1

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

N'-cyclopropyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide (PubChem CID 62362359) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N'-cyclopropyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide.

Molecular Properties

Compound NameN'-cyclopropyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide
PubChem CID62362359
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN'-cyclopropyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide
SMILESN/C(=N\C1CC1)N1CCOC2CCCC21
InChIInChI=1S/C11H19N3O/c12-11(13-8-4-5-8)14-6-7-15-10-3-1-2-9(10)14/h8-10H,1-7H2,(H2,12,13)
InChIKeyIGHSEUCVTGEDEW-UHFFFAOYSA-N
XLogP0.72
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.72
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'-cyclopropyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide?
The IUPAC name of N'-cyclopropyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide (CID 62362359) is N'-cyclopropyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide.
What is the SMILES notation for N'-cyclopropyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide?
The canonical SMILES for N'-cyclopropyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide is N/C(=N\C1CC1)N1CCOC2CCCC21.
What is the InChIKey of N'-cyclopropyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide?
The InChIKey is IGHSEUCVTGEDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c12-11(13-8-4-5-8)14-6-7-15-10-3-1-2-9(10)14/h8-10H,1-7H2,(H2,12,13).
What are the key properties of N'-cyclopropyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide?
N'-cyclopropyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide has a molecular weight of 209.29 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide is sourced from PubChem (CID 62362359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).