N'-ethyl-1,4-oxazepane-4-carboximidamide

C8H17N3O — CID 62972618

IUPACN'-ethyl-1,4-oxazepane-4-carboximidamide
SMILESCC/N=C(\N)N1CCCOCC1
InChIInChI=1S/C8H17N3O/c1-2-10-8(9)11-4-3-6-12-7-5-11/h2-7H2,1H3,(H2,9,10)
InChIKeyXCTIARFRTYPMPH-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.04
Rot. Bonds1

About N'-ethyl-1,4-oxazepane-4-carboximidamide

N'-ethyl-1,4-oxazepane-4-carboximidamide (PubChem CID 62972618) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N'-ethyl-1,4-oxazepane-4-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-1,4-oxazepane-4-carboximidamide
PubChem CID62972618
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN'-ethyl-1,4-oxazepane-4-carboximidamide
SMILESCC/N=C(\N)N1CCCOCC1
InChIInChI=1S/C8H17N3O/c1-2-10-8(9)11-4-3-6-12-7-5-11/h2-7H2,1H3,(H2,9,10)
InChIKeyXCTIARFRTYPMPH-UHFFFAOYSA-N
XLogP0.04
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.04
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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Related Compounds

N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
CID 111040241
N'-(2-ethylsulfonylethyl)morpholine-4-carboximidamide
CID 111100374
N'-[(1-methylsulfonylcyclopentyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120973772
N'-[2-(diethylamino)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111022667
N'-(2-ethoxyethyl)morpholine-4-carboximidamide;hydroiodide
CID 111045505
N'-ethylpiperazine-1-carboximidamide
CID 54270483
ethyl 1,4-oxazepane-4-carboxylate
CID 62066456
N'-[2-[ethyl(methyl)amino]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111085730
N'-(2-morpholin-4-ylpropyl)morpholine-4-carboximidamide
CID 111055185
3-[[amino(morpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111043465
N'-[4-(diethylamino)butyl]morpholine-4-carboximidamide
CID 111059955
N',4-diethylpiperidine-1-carboximidamide
CID 62361453

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1,4-oxazepane-4-carboximidamide?
The IUPAC name of N'-ethyl-1,4-oxazepane-4-carboximidamide (CID 62972618) is N'-ethyl-1,4-oxazepane-4-carboximidamide.
What is the SMILES notation for N'-ethyl-1,4-oxazepane-4-carboximidamide?
The canonical SMILES for N'-ethyl-1,4-oxazepane-4-carboximidamide is CC/N=C(\N)N1CCCOCC1.
What is the InChIKey of N'-ethyl-1,4-oxazepane-4-carboximidamide?
The InChIKey is XCTIARFRTYPMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-2-10-8(9)11-4-3-6-12-7-5-11/h2-7H2,1H3,(H2,9,10).
What are the key properties of N'-ethyl-1,4-oxazepane-4-carboximidamide?
N'-ethyl-1,4-oxazepane-4-carboximidamide has a molecular weight of 171.24 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1,4-oxazepane-4-carboximidamide is sourced from PubChem (CID 62972618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).