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

C12H22N4O — CID 63174633

IUPACN'-cyclopropyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESN/C(=N\C1CC1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C12H22N4O/c13-12(14-10-1-2-10)16-4-3-11(9-16)15-5-7-17-8-6-15/h10-11H,1-9H2,(H2,13,14)
InChIKeyZDQCJAYAOWFIDS-UHFFFAOYSA-N
MW238.33 g/mol
LogP-0.13
Rot. Bonds2

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

N'-cyclopropyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide (PubChem CID 63174633) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N'-cyclopropyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclopropyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
PubChem CID63174633
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN'-cyclopropyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESN/C(=N\C1CC1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C12H22N4O/c13-12(14-10-1-2-10)16-4-3-11(9-16)15-5-7-17-8-6-15/h10-11H,1-9H2,(H2,13,14)
InChIKeyZDQCJAYAOWFIDS-UHFFFAOYSA-N
XLogP-0.13
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 5-0.13
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'-cyclopropyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The IUPAC name of N'-cyclopropyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide (CID 63174633) is N'-cyclopropyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-cyclopropyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for N'-cyclopropyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide is N/C(=N\C1CC1)N1CCC(N2CCOCC2)C1.
What is the InChIKey of N'-cyclopropyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The InChIKey is ZDQCJAYAOWFIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c13-12(14-10-1-2-10)16-4-3-11(9-16)15-5-7-17-8-6-15/h10-11H,1-9H2,(H2,13,14).
What are the key properties of N'-cyclopropyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
N'-cyclopropyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide has a molecular weight of 238.33 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 63174633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).