2-(3-morpholin-4-ylpyrrolidin-1-yl)butanimidamide

C12H24N4O — CID 63170598

IUPAC2-(3-morpholin-4-ylpyrrolidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)C(CC)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C12H24N4O/c1-2-11(12(13)14)16-4-3-10(9-16)15-5-7-17-8-6-15/h10-11H,2-9H2,1H3,(H3,13,14)
InChIKeyPMEIARUXRKXPFA-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.11
Rot. Bonds4

About 2-(3-morpholin-4-ylpyrrolidin-1-yl)butanimidamide

2-(3-morpholin-4-ylpyrrolidin-1-yl)butanimidamide (PubChem CID 63170598) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpyrrolidin-1-yl)butanimidamide.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpyrrolidin-1-yl)butanimidamide
PubChem CID63170598
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name2-(3-morpholin-4-ylpyrrolidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)C(CC)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C12H24N4O/c1-2-11(12(13)14)16-4-3-10(9-16)15-5-7-17-8-6-15/h10-11H,2-9H2,1H3,(H3,13,14)
InChIKeyPMEIARUXRKXPFA-UHFFFAOYSA-N
XLogP0.11
TPSA65.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(3-morpholin-4-ylpyrrolidin-1-yl)butanimidamide?
The IUPAC name of 2-(3-morpholin-4-ylpyrrolidin-1-yl)butanimidamide (CID 63170598) is 2-(3-morpholin-4-ylpyrrolidin-1-yl)butanimidamide.
What is the SMILES notation for 2-(3-morpholin-4-ylpyrrolidin-1-yl)butanimidamide?
The canonical SMILES for 2-(3-morpholin-4-ylpyrrolidin-1-yl)butanimidamide is [H]/N=C(\N)C(CC)N1CCC(N2CCOCC2)C1.
What is the InChIKey of 2-(3-morpholin-4-ylpyrrolidin-1-yl)butanimidamide?
The InChIKey is PMEIARUXRKXPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-2-11(12(13)14)16-4-3-10(9-16)15-5-7-17-8-6-15/h10-11H,2-9H2,1H3,(H3,13,14).
What are the key properties of 2-(3-morpholin-4-ylpyrrolidin-1-yl)butanimidamide?
2-(3-morpholin-4-ylpyrrolidin-1-yl)butanimidamide has a molecular weight of 240.35 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpyrrolidin-1-yl)butanimidamide is sourced from PubChem (CID 63170598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).