3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide

C12H24N4O — CID 63175308

IUPAC3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide
SMILESCCC/N=C(\N)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C12H24N4O/c1-2-4-14-12(13)16-5-3-11(10-16)15-6-8-17-9-7-15/h11H,2-10H2,1H3,(H2,13,14)
InChIKeyZLCZLIQQOCXNBY-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.12
Rot. Bonds3

About 3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide

3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide (PubChem CID 63175308) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide
PubChem CID63175308
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide
SMILESCCC/N=C(\N)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C12H24N4O/c1-2-4-14-12(13)16-5-3-11(10-16)15-6-8-17-9-7-15/h11H,2-10H2,1H3,(H2,13,14)
InChIKeyZLCZLIQQOCXNBY-UHFFFAOYSA-N
XLogP0.12
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide?
The IUPAC name of 3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide (CID 63175308) is 3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide?
The canonical SMILES for 3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide is CCC/N=C(\N)N1CCC(N2CCOCC2)C1.
What is the InChIKey of 3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide?
The InChIKey is ZLCZLIQQOCXNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-2-4-14-12(13)16-5-3-11(10-16)15-6-8-17-9-7-15/h11H,2-10H2,1H3,(H2,13,14).
What are the key properties of 3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide?
3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide has a molecular weight of 240.35 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 63175308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).