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

C8H16N4O — CID 77054013

IUPACN'-amino-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide
SMILESNN=C(N)N1CCOC2CCCC21
InChIInChI=1S/C8H16N4O/c9-8(11-10)12-4-5-13-7-3-1-2-6(7)12/h6-7H,1-5,10H2,(H2,9,11)
InChIKeyXOMDIMFGWSPRIJ-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.57
Rot. Bonds

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

N'-amino-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide (PubChem CID 77054013) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is N'-amino-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide.

Molecular Properties

Compound NameN'-amino-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide
PubChem CID77054013
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC NameN'-amino-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide
SMILESNN=C(N)N1CCOC2CCCC21
InChIInChI=1S/C8H16N4O/c9-8(11-10)12-4-5-13-7-3-1-2-6(7)12/h6-7H,1-5,10H2,(H2,9,11)
InChIKeyXOMDIMFGWSPRIJ-UHFFFAOYSA-N
XLogP-0.57
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide?
The IUPAC name of N'-amino-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide (CID 77054013) is N'-amino-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide.
What is the SMILES notation for N'-amino-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide?
The canonical SMILES for N'-amino-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide is NN=C(N)N1CCOC2CCCC21.
What is the InChIKey of N'-amino-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide?
The InChIKey is XOMDIMFGWSPRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c9-8(11-10)12-4-5-13-7-3-1-2-6(7)12/h6-7H,1-5,10H2,(H2,9,11).
What are the key properties of N'-amino-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide?
N'-amino-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide has a molecular weight of 184.24 g/mol, XLogP of -0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide is sourced from PubChem (CID 77054013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).