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

C14H26N4O — CID 104884561

IUPACN-amino-N'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide
SMILESNN/C(=N\C1CCCCC1)N1CCOC2CCCC21
InChIInChI=1S/C14H26N4O/c15-17-14(16-11-5-2-1-3-6-11)18-9-10-19-13-8-4-7-12(13)18/h11-13H,1-10,15H2,(H,16,17)
InChIKeyQDVRSQPHGGXOCU-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.39
Rot. Bonds1

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

N-amino-N'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide (PubChem CID 104884561) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-amino-N'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide
PubChem CID104884561
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-amino-N'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide
SMILESNN/C(=N\C1CCCCC1)N1CCOC2CCCC21
InChIInChI=1S/C14H26N4O/c15-17-14(16-11-5-2-1-3-6-11)18-9-10-19-13-8-4-7-12(13)18/h11-13H,1-10,15H2,(H,16,17)
InChIKeyQDVRSQPHGGXOCU-UHFFFAOYSA-N
XLogP1.39
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.39
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'}

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

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Related Compounds

N-amino-N',2-dicyclopentylpyrrolidine-1-carboximidamide
CID 104884664
N-amino-N'-(3-methoxypropyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboximidamide
CID 104885426
N-amino-N'-cyclohexyl-3-methylmorpholine-4-carboximidamide
CID 104883870
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(piperidin-1-yl)methanone
CID 115589152
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(cyclopropyl)methanone
CID 52985742
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbothioylsulfanyl 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbodithioate
CID 145372138
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide;hydrochloride
CID 122163365
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(2-hydrazinylphenyl)methanone
CID 62243127
N-amino-N'-cyclohexylthiomorpholine-4-carboximidamide
CID 104883434
1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-chloroethanone
CID 51889854
N,N-dimethyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboxamide
CID 71684011
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(1-aminocyclohexyl)ethanone
CID 64677938

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide?
The IUPAC name of N-amino-N'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide (CID 104884561) is N-amino-N'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide?
The canonical SMILES for N-amino-N'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide is NN/C(=N\C1CCCCC1)N1CCOC2CCCC21.
What is the InChIKey of N-amino-N'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide?
The InChIKey is QDVRSQPHGGXOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c15-17-14(16-11-5-2-1-3-6-11)18-9-10-19-13-8-4-7-12(13)18/h11-13H,1-10,15H2,(H,16,17).
What are the key properties of N-amino-N'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide?
N-amino-N'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide has a molecular weight of 266.39 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclohexyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide is sourced from PubChem (CID 104884561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).