N'-tert-butyl-5-ethyl-2-methylmorpholine-4-carboximidamide

C12H25N3O — CID 62361903

IUPACN'-tert-butyl-5-ethyl-2-methylmorpholine-4-carboximidamide
SMILESCCC1COC(C)CN1/C(N)=N/C(C)(C)C
InChIInChI=1S/C12H25N3O/c1-6-10-8-16-9(2)7-15(10)11(13)14-12(3,4)5/h9-10H,6-8H2,1-5H3,(H2,13,14)
InChIKeyKCANPVVXXIYQME-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.60
Rot. Bonds1

About N'-tert-butyl-5-ethyl-2-methylmorpholine-4-carboximidamide

N'-tert-butyl-5-ethyl-2-methylmorpholine-4-carboximidamide (PubChem CID 62361903) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N'-tert-butyl-5-ethyl-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-tert-butyl-5-ethyl-2-methylmorpholine-4-carboximidamide
PubChem CID62361903
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN'-tert-butyl-5-ethyl-2-methylmorpholine-4-carboximidamide
SMILESCCC1COC(C)CN1/C(N)=N/C(C)(C)C
InChIInChI=1S/C12H25N3O/c1-6-10-8-16-9(2)7-15(10)11(13)14-12(3,4)5/h9-10H,6-8H2,1-5H3,(H2,13,14)
InChIKeyKCANPVVXXIYQME-UHFFFAOYSA-N
XLogP1.60
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.60
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'-tert-butyl-5-ethyl-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-tert-butyl-5-ethyl-2-methylmorpholine-4-carboximidamide (CID 62361903) is N'-tert-butyl-5-ethyl-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-tert-butyl-5-ethyl-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-tert-butyl-5-ethyl-2-methylmorpholine-4-carboximidamide is CCC1COC(C)CN1/C(N)=N/C(C)(C)C.
What is the InChIKey of N'-tert-butyl-5-ethyl-2-methylmorpholine-4-carboximidamide?
The InChIKey is KCANPVVXXIYQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-6-10-8-16-9(2)7-15(10)11(13)14-12(3,4)5/h9-10H,6-8H2,1-5H3,(H2,13,14).
What are the key properties of N'-tert-butyl-5-ethyl-2-methylmorpholine-4-carboximidamide?
N'-tert-butyl-5-ethyl-2-methylmorpholine-4-carboximidamide has a molecular weight of 227.35 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-5-ethyl-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 62361903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).