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

C9H19N5O — CID 77054122

IUPACN'-amino-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESNN=C(N)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C9H19N5O/c10-9(12-11)14-2-1-8(7-14)13-3-5-15-6-4-13/h8H,1-7,11H2,(H2,10,12)
InChIKeyBESKZGHSLZPJHA-UHFFFAOYSA-N
MW213.28 g/mol
LogP-1.42
Rot. Bonds1

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

N'-amino-3-morpholin-4-ylpyrrolidine-1-carboximidamide (PubChem CID 77054122) has the molecular formula C9H19N5O and a molecular weight of 213.28 g/mol. Its IUPAC name is N'-amino-3-morpholin-4-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-amino-3-morpholin-4-ylpyrrolidine-1-carboximidamide
PubChem CID77054122
Molecular FormulaC9H19N5O
Molecular Weight213.28 g/mol
Exact Mass213.16
IUPAC NameN'-amino-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESNN=C(N)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C9H19N5O/c10-9(12-11)14-2-1-8(7-14)13-3-5-15-6-4-13/h8H,1-7,11H2,(H2,10,12)
InChIKeyBESKZGHSLZPJHA-UHFFFAOYSA-N
XLogP-1.42
TPSA80.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The IUPAC name of N'-amino-3-morpholin-4-ylpyrrolidine-1-carboximidamide (CID 77054122) is N'-amino-3-morpholin-4-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-amino-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for N'-amino-3-morpholin-4-ylpyrrolidine-1-carboximidamide is NN=C(N)N1CCC(N2CCOCC2)C1.
What is the InChIKey of N'-amino-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The InChIKey is BESKZGHSLZPJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O/c10-9(12-11)14-2-1-8(7-14)13-3-5-15-6-4-13/h8H,1-7,11H2,(H2,10,12).
What are the key properties of N'-amino-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
N'-amino-3-morpholin-4-ylpyrrolidine-1-carboximidamide has a molecular weight of 213.28 g/mol, XLogP of -1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-3-morpholin-4-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 77054122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).