N'-cyclopropyl-5-ethyl-2-methylmorpholine-4-carboximidamide

C11H21N3O — CID 62361902

IUPACN'-cyclopropyl-5-ethyl-2-methylmorpholine-4-carboximidamide
SMILESCCC1COC(C)CN1/C(N)=N/C1CC1
InChIInChI=1S/C11H21N3O/c1-3-10-7-15-8(2)6-14(10)11(12)13-9-4-5-9/h8-10H,3-7H2,1-2H3,(H2,12,13)
InChIKeyUYICNIWRZJSHQC-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.96
Rot. Bonds2

About N'-cyclopropyl-5-ethyl-2-methylmorpholine-4-carboximidamide

N'-cyclopropyl-5-ethyl-2-methylmorpholine-4-carboximidamide (PubChem CID 62361902) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N'-cyclopropyl-5-ethyl-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-cyclopropyl-5-ethyl-2-methylmorpholine-4-carboximidamide
PubChem CID62361902
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN'-cyclopropyl-5-ethyl-2-methylmorpholine-4-carboximidamide
SMILESCCC1COC(C)CN1/C(N)=N/C1CC1
InChIInChI=1S/C11H21N3O/c1-3-10-7-15-8(2)6-14(10)11(12)13-9-4-5-9/h8-10H,3-7H2,1-2H3,(H2,12,13)
InChIKeyUYICNIWRZJSHQC-UHFFFAOYSA-N
XLogP0.96
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.96
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-5-ethyl-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-cyclopropyl-5-ethyl-2-methylmorpholine-4-carboximidamide (CID 62361902) is N'-cyclopropyl-5-ethyl-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-cyclopropyl-5-ethyl-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-cyclopropyl-5-ethyl-2-methylmorpholine-4-carboximidamide is CCC1COC(C)CN1/C(N)=N/C1CC1.
What is the InChIKey of N'-cyclopropyl-5-ethyl-2-methylmorpholine-4-carboximidamide?
The InChIKey is UYICNIWRZJSHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-10-7-15-8(2)6-14(10)11(12)13-9-4-5-9/h8-10H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of N'-cyclopropyl-5-ethyl-2-methylmorpholine-4-carboximidamide?
N'-cyclopropyl-5-ethyl-2-methylmorpholine-4-carboximidamide has a molecular weight of 211.31 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-5-ethyl-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 62361902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).