1-(3-morpholin-4-ylpropyl)-2-propylguanidine

C11H24N4O — CID 62364387

IUPAC1-(3-morpholin-4-ylpropyl)-2-propylguanidine
SMILESCCC/N=C(\N)NCCCN1CCOCC1
InChIInChI=1S/C11H24N4O/c1-2-4-13-11(12)14-5-3-6-15-7-9-16-10-8-15/h2-10H2,1H3,(H3,12,13,14)
InChIKeyJYWWCRZPLPZDHR-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.02
Rot. Bonds6

About 1-(3-morpholin-4-ylpropyl)-2-propylguanidine

1-(3-morpholin-4-ylpropyl)-2-propylguanidine (PubChem CID 62364387) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-2-propylguanidine.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-2-propylguanidine
PubChem CID62364387
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name1-(3-morpholin-4-ylpropyl)-2-propylguanidine
SMILESCCC/N=C(\N)NCCCN1CCOCC1
InChIInChI=1S/C11H24N4O/c1-2-4-13-11(12)14-5-3-6-15-7-9-16-10-8-15/h2-10H2,1H3,(H3,12,13,14)
InChIKeyJYWWCRZPLPZDHR-UHFFFAOYSA-N
XLogP0.02
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1-(3-morpholin-4-ylpropyl)-2-propylguanidine?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-2-propylguanidine (CID 62364387) is 1-(3-morpholin-4-ylpropyl)-2-propylguanidine.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-2-propylguanidine?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-2-propylguanidine is CCC/N=C(\N)NCCCN1CCOCC1.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-2-propylguanidine?
The InChIKey is JYWWCRZPLPZDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-2-4-13-11(12)14-5-3-6-15-7-9-16-10-8-15/h2-10H2,1H3,(H3,12,13,14).
What are the key properties of 1-(3-morpholin-4-ylpropyl)-2-propylguanidine?
1-(3-morpholin-4-ylpropyl)-2-propylguanidine has a molecular weight of 228.34 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-2-propylguanidine is sourced from PubChem (CID 62364387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).