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

C13H25N3O — CID 62362282

IUPACN'-cyclopentyl-5-ethyl-2-methylmorpholine-4-carboximidamide
SMILESCCC1COC(C)CN1/C(N)=N/C1CCCC1
InChIInChI=1S/C13H25N3O/c1-3-12-9-17-10(2)8-16(12)13(14)15-11-6-4-5-7-11/h10-12H,3-9H2,1-2H3,(H2,14,15)
InChIKeyZHHSFUIRTGKVMK-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.74
Rot. Bonds2

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

N'-cyclopentyl-5-ethyl-2-methylmorpholine-4-carboximidamide (PubChem CID 62362282) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N'-cyclopentyl-5-ethyl-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-cyclopentyl-5-ethyl-2-methylmorpholine-4-carboximidamide
PubChem CID62362282
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN'-cyclopentyl-5-ethyl-2-methylmorpholine-4-carboximidamide
SMILESCCC1COC(C)CN1/C(N)=N/C1CCCC1
InChIInChI=1S/C13H25N3O/c1-3-12-9-17-10(2)8-16(12)13(14)15-11-6-4-5-7-11/h10-12H,3-9H2,1-2H3,(H2,14,15)
InChIKeyZHHSFUIRTGKVMK-UHFFFAOYSA-N
XLogP1.74
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.74
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'-cyclopentyl-5-ethyl-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-cyclopentyl-5-ethyl-2-methylmorpholine-4-carboximidamide (CID 62362282) is N'-cyclopentyl-5-ethyl-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-cyclopentyl-5-ethyl-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-cyclopentyl-5-ethyl-2-methylmorpholine-4-carboximidamide is CCC1COC(C)CN1/C(N)=N/C1CCCC1.
What is the InChIKey of N'-cyclopentyl-5-ethyl-2-methylmorpholine-4-carboximidamide?
The InChIKey is ZHHSFUIRTGKVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-12-9-17-10(2)8-16(12)13(14)15-11-6-4-5-7-11/h10-12H,3-9H2,1-2H3,(H2,14,15).
What are the key properties of N'-cyclopentyl-5-ethyl-2-methylmorpholine-4-carboximidamide?
N'-cyclopentyl-5-ethyl-2-methylmorpholine-4-carboximidamide has a molecular weight of 239.36 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-5-ethyl-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 62362282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).