N'-cyclopentyl-2,2,6-trimethylmorpholine-4-carboximidamide

C13H25N3O — CID 62361648

IUPACN'-cyclopentyl-2,2,6-trimethylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/C2CCCC2)CC(C)(C)O1
InChIInChI=1S/C13H25N3O/c1-10-8-16(9-13(2,3)17-10)12(14)15-11-6-4-5-7-11/h10-11H,4-9H2,1-3H3,(H2,14,15)
InChIKeyDEVKMYHTDFYTMN-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.74
Rot. Bonds1

About N'-cyclopentyl-2,2,6-trimethylmorpholine-4-carboximidamide

N'-cyclopentyl-2,2,6-trimethylmorpholine-4-carboximidamide (PubChem CID 62361648) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N'-cyclopentyl-2,2,6-trimethylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-cyclopentyl-2,2,6-trimethylmorpholine-4-carboximidamide
PubChem CID62361648
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN'-cyclopentyl-2,2,6-trimethylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/C2CCCC2)CC(C)(C)O1
InChIInChI=1S/C13H25N3O/c1-10-8-16(9-13(2,3)17-10)12(14)15-11-6-4-5-7-11/h10-11H,4-9H2,1-3H3,(H2,14,15)
InChIKeyDEVKMYHTDFYTMN-UHFFFAOYSA-N
XLogP1.74
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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-2,2,6-trimethylmorpholine-4-carboximidamide?
The IUPAC name of N'-cyclopentyl-2,2,6-trimethylmorpholine-4-carboximidamide (CID 62361648) is N'-cyclopentyl-2,2,6-trimethylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-cyclopentyl-2,2,6-trimethylmorpholine-4-carboximidamide?
The canonical SMILES for N'-cyclopentyl-2,2,6-trimethylmorpholine-4-carboximidamide is CC1CN(/C(N)=N/C2CCCC2)CC(C)(C)O1.
What is the InChIKey of N'-cyclopentyl-2,2,6-trimethylmorpholine-4-carboximidamide?
The InChIKey is DEVKMYHTDFYTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10-8-16(9-13(2,3)17-10)12(14)15-11-6-4-5-7-11/h10-11H,4-9H2,1-3H3,(H2,14,15).
What are the key properties of N'-cyclopentyl-2,2,6-trimethylmorpholine-4-carboximidamide?
N'-cyclopentyl-2,2,6-trimethylmorpholine-4-carboximidamide has a molecular weight of 239.36 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-2,2,6-trimethylmorpholine-4-carboximidamide is sourced from PubChem (CID 62361648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).