N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide

C10H20N4O — CID 63175264

IUPACN'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESC/N=C(\N)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C10H20N4O/c1-12-10(11)14-3-2-9(8-14)13-4-6-15-7-5-13/h9H,2-8H2,1H3,(H2,11,12)
InChIKeyXBVSMLZRYKBPSR-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.66
Rot. Bonds1

About N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide

N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide (PubChem CID 63175264) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
PubChem CID63175264
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC NameN'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESC/N=C(\N)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C10H20N4O/c1-12-10(11)14-3-2-9(8-14)13-4-6-15-7-5-13/h9H,2-8H2,1H3,(H2,11,12)
InChIKeyXBVSMLZRYKBPSR-UHFFFAOYSA-N
XLogP-0.66
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.66
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 N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The IUPAC name of N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide (CID 63175264) is N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide is C/N=C(\N)N1CCC(N2CCOCC2)C1.
What is the InChIKey of N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The InChIKey is XBVSMLZRYKBPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-12-10(11)14-3-2-9(8-14)13-4-6-15-7-5-13/h9H,2-8H2,1H3,(H2,11,12).
What are the key properties of N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide has a molecular weight of 212.30 g/mol, XLogP of -0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 63175264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).