morpholin-4-ium-4-carboximidamide

C5H12N3O+ — CID 173337132

IUPACmorpholin-4-ium-4-carboximidamide
SMILES[H]/N=C(\N)[NH+]1CCOCC1
InChIInChI=1S/C5H11N3O/c6-5(7)8-1-3-9-4-2-8/h1-4H2,(H3,6,7)/p+1
InChIKeyWCUWHUUPGXCMMQ-UHFFFAOYSA-O
MW130.17 g/mol
LogP-2.21
Rot. Bonds

About morpholin-4-ium-4-carboximidamide

morpholin-4-ium-4-carboximidamide (PubChem CID 173337132) has the molecular formula C5H12N3O+ and a molecular weight of 130.17 g/mol. Its IUPAC name is morpholin-4-ium-4-carboximidamide.

Molecular Properties

Compound Namemorpholin-4-ium-4-carboximidamide
PubChem CID173337132
Molecular FormulaC5H12N3O+
Molecular Weight130.17 g/mol
Exact Mass130.10
IUPAC Namemorpholin-4-ium-4-carboximidamide
SMILES[H]/N=C(\N)[NH+]1CCOCC1
InChIInChI=1S/C5H11N3O/c6-5(7)8-1-3-9-4-2-8/h1-4H2,(H3,6,7)/p+1
InChIKeyWCUWHUUPGXCMMQ-UHFFFAOYSA-O
XLogP-2.21
TPSA63.54 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 5-2.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 morpholin-4-ium-4-carboximidamide?
The IUPAC name of morpholin-4-ium-4-carboximidamide (CID 173337132) is morpholin-4-ium-4-carboximidamide.
What is the SMILES notation for morpholin-4-ium-4-carboximidamide?
The canonical SMILES for morpholin-4-ium-4-carboximidamide is [H]/N=C(\N)[NH+]1CCOCC1.
What is the InChIKey of morpholin-4-ium-4-carboximidamide?
The InChIKey is WCUWHUUPGXCMMQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11N3O/c6-5(7)8-1-3-9-4-2-8/h1-4H2,(H3,6,7)/p+1.
What are the key properties of morpholin-4-ium-4-carboximidamide?
morpholin-4-ium-4-carboximidamide has a molecular weight of 130.17 g/mol, XLogP of -2.21, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-ium-4-carboximidamide is sourced from PubChem (CID 173337132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).