1-ethyl-2-(2-morpholin-4-ylethyl)guanidine

C9H20N4O — CID 62361956

IUPAC1-ethyl-2-(2-morpholin-4-ylethyl)guanidine
SMILESCCN/C(N)=N/CCN1CCOCC1
InChIInChI=1S/C9H20N4O/c1-2-11-9(10)12-3-4-13-5-7-14-8-6-13/h2-8H2,1H3,(H3,10,11,12)
InChIKeyKXSVRAQHXMMQAE-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.76
Rot. Bonds4

About 1-ethyl-2-(2-morpholin-4-ylethyl)guanidine

1-ethyl-2-(2-morpholin-4-ylethyl)guanidine (PubChem CID 62361956) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 1-ethyl-2-(2-morpholin-4-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-morpholin-4-ylethyl)guanidine
PubChem CID62361956
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name1-ethyl-2-(2-morpholin-4-ylethyl)guanidine
SMILESCCN/C(N)=N/CCN1CCOCC1
InChIInChI=1S/C9H20N4O/c1-2-11-9(10)12-3-4-13-5-7-14-8-6-13/h2-8H2,1H3,(H3,10,11,12)
InChIKeyKXSVRAQHXMMQAE-UHFFFAOYSA-N
XLogP-0.76
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.76
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 1-ethyl-2-(2-morpholin-4-ylethyl)guanidine?
The IUPAC name of 1-ethyl-2-(2-morpholin-4-ylethyl)guanidine (CID 62361956) is 1-ethyl-2-(2-morpholin-4-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(2-morpholin-4-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-(2-morpholin-4-ylethyl)guanidine is CCN/C(N)=N/CCN1CCOCC1.
What is the InChIKey of 1-ethyl-2-(2-morpholin-4-ylethyl)guanidine?
The InChIKey is KXSVRAQHXMMQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-2-11-9(10)12-3-4-13-5-7-14-8-6-13/h2-8H2,1H3,(H3,10,11,12).
What are the key properties of 1-ethyl-2-(2-morpholin-4-ylethyl)guanidine?
1-ethyl-2-(2-morpholin-4-ylethyl)guanidine has a molecular weight of 200.29 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-morpholin-4-ylethyl)guanidine is sourced from PubChem (CID 62361956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).