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

C14H27N3O — CID 62362283

IUPACN'-cyclohexyl-5-ethyl-2-methylmorpholine-4-carboximidamide
SMILESCCC1COC(C)CN1/C(N)=N/C1CCCCC1
InChIInChI=1S/C14H27N3O/c1-3-13-10-18-11(2)9-17(13)14(15)16-12-7-5-4-6-8-12/h11-13H,3-10H2,1-2H3,(H2,15,16)
InChIKeyRDXPIBDUUVEFLD-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.13
Rot. Bonds2

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

N'-cyclohexyl-5-ethyl-2-methylmorpholine-4-carboximidamide (PubChem CID 62362283) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N'-cyclohexyl-5-ethyl-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-cyclohexyl-5-ethyl-2-methylmorpholine-4-carboximidamide
PubChem CID62362283
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN'-cyclohexyl-5-ethyl-2-methylmorpholine-4-carboximidamide
SMILESCCC1COC(C)CN1/C(N)=N/C1CCCCC1
InChIInChI=1S/C14H27N3O/c1-3-13-10-18-11(2)9-17(13)14(15)16-12-7-5-4-6-8-12/h11-13H,3-10H2,1-2H3,(H2,15,16)
InChIKeyRDXPIBDUUVEFLD-UHFFFAOYSA-N
XLogP2.13
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.13
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'-cyclohexyl-5-ethyl-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-cyclohexyl-5-ethyl-2-methylmorpholine-4-carboximidamide (CID 62362283) is N'-cyclohexyl-5-ethyl-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-cyclohexyl-5-ethyl-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-cyclohexyl-5-ethyl-2-methylmorpholine-4-carboximidamide is CCC1COC(C)CN1/C(N)=N/C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-5-ethyl-2-methylmorpholine-4-carboximidamide?
The InChIKey is RDXPIBDUUVEFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-13-10-18-11(2)9-17(13)14(15)16-12-7-5-4-6-8-12/h11-13H,3-10H2,1-2H3,(H2,15,16).
What are the key properties of N'-cyclohexyl-5-ethyl-2-methylmorpholine-4-carboximidamide?
N'-cyclohexyl-5-ethyl-2-methylmorpholine-4-carboximidamide has a molecular weight of 253.39 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-5-ethyl-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 62362283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).