3-morpholin-4-ylpropanimidamide

C7H15N3O — CID 24711156

IUPAC3-morpholin-4-ylpropanimidamide
SMILES[H]/N=C(\N)CCN1CCOCC1
InChIInChI=1S/C7H15N3O/c8-7(9)1-2-10-3-5-11-6-4-10/h1-6H2,(H3,8,9)
InChIKeyCYSPQNKPCYUJJN-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.36
Rot. Bonds3

About 3-morpholin-4-ylpropanimidamide

3-morpholin-4-ylpropanimidamide (PubChem CID 24711156) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-morpholin-4-ylpropanimidamide.

Molecular Properties

Compound Name3-morpholin-4-ylpropanimidamide
PubChem CID24711156
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name3-morpholin-4-ylpropanimidamide
SMILES[H]/N=C(\N)CCN1CCOCC1
InChIInChI=1S/C7H15N3O/c8-7(9)1-2-10-3-5-11-6-4-10/h1-6H2,(H3,8,9)
InChIKeyCYSPQNKPCYUJJN-UHFFFAOYSA-N
XLogP-0.36
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
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 3-morpholin-4-ylpropanimidamide?
The IUPAC name of 3-morpholin-4-ylpropanimidamide (CID 24711156) is 3-morpholin-4-ylpropanimidamide.
What is the SMILES notation for 3-morpholin-4-ylpropanimidamide?
The canonical SMILES for 3-morpholin-4-ylpropanimidamide is [H]/N=C(\N)CCN1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylpropanimidamide?
The InChIKey is CYSPQNKPCYUJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c8-7(9)1-2-10-3-5-11-6-4-10/h1-6H2,(H3,8,9).
What are the key properties of 3-morpholin-4-ylpropanimidamide?
3-morpholin-4-ylpropanimidamide has a molecular weight of 157.22 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylpropanimidamide is sourced from PubChem (CID 24711156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).