N-(diaminomethylidene)-3-morpholin-4-ylpyrrolidine-1-carboximidamide

C10H20N6O — CID 83037182

IUPACN-(diaminomethylidene)-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C10H20N6O/c11-9(12)14-10(13)16-2-1-8(7-16)15-3-5-17-6-4-15/h8H,1-7H2,(H5,11,12,13,14)
InChIKeyLCQMARUMYOMCDU-UHFFFAOYSA-N
MW240.31 g/mol
LogP-1.40
Rot. Bonds1

About N-(diaminomethylidene)-3-morpholin-4-ylpyrrolidine-1-carboximidamide

N-(diaminomethylidene)-3-morpholin-4-ylpyrrolidine-1-carboximidamide (PubChem CID 83037182) has the molecular formula C10H20N6O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(diaminomethylidene)-3-morpholin-4-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-3-morpholin-4-ylpyrrolidine-1-carboximidamide
PubChem CID83037182
Molecular FormulaC10H20N6O
Molecular Weight240.31 g/mol
Exact Mass240.17
IUPAC NameN-(diaminomethylidene)-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C10H20N6O/c11-9(12)14-10(13)16-2-1-8(7-16)15-3-5-17-6-4-15/h8H,1-7H2,(H5,11,12,13,14)
InChIKeyLCQMARUMYOMCDU-UHFFFAOYSA-N
XLogP-1.40
TPSA103.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
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-(diaminomethylidene)-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-3-morpholin-4-ylpyrrolidine-1-carboximidamide (CID 83037182) is N-(diaminomethylidene)-3-morpholin-4-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-3-morpholin-4-ylpyrrolidine-1-carboximidamide is [H]/N=C(\N=C(N)N)N1CCC(N2CCOCC2)C1.
What is the InChIKey of N-(diaminomethylidene)-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The InChIKey is LCQMARUMYOMCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O/c11-9(12)14-10(13)16-2-1-8(7-16)15-3-5-17-6-4-15/h8H,1-7H2,(H5,11,12,13,14).
What are the key properties of N-(diaminomethylidene)-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
N-(diaminomethylidene)-3-morpholin-4-ylpyrrolidine-1-carboximidamide has a molecular weight of 240.31 g/mol, XLogP of -1.40, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-3-morpholin-4-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 83037182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).