2-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1-prop-2-enylguanidine

C12H24N4O — CID 137062612

IUPAC2-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CCN1CCOCC1(C)C
InChIInChI=1S/C12H24N4O/c1-4-5-14-11(13)15-6-7-16-8-9-17-10-12(16,2)3/h4H,1,5-10H2,2-3H3,(H3,13,14,15)
InChIKeyWLAGEANGLOWOGD-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.19
Rot. Bonds5

About 2-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1-prop-2-enylguanidine

2-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1-prop-2-enylguanidine (PubChem CID 137062612) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1-prop-2-enylguanidine.

Molecular Properties

Compound Name2-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1-prop-2-enylguanidine
PubChem CID137062612
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name2-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CCN1CCOCC1(C)C
InChIInChI=1S/C12H24N4O/c1-4-5-14-11(13)15-6-7-16-8-9-17-10-12(16,2)3/h4H,1,5-10H2,2-3H3,(H3,13,14,15)
InChIKeyWLAGEANGLOWOGD-UHFFFAOYSA-N
XLogP0.19
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.19
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1-prop-2-enylguanidine?
The IUPAC name of 2-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1-prop-2-enylguanidine (CID 137062612) is 2-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1-prop-2-enylguanidine.
What is the SMILES notation for 2-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1-prop-2-enylguanidine?
The canonical SMILES for 2-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1-prop-2-enylguanidine is C=CCN/C(N)=N/CCN1CCOCC1(C)C.
What is the InChIKey of 2-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1-prop-2-enylguanidine?
The InChIKey is WLAGEANGLOWOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-4-5-14-11(13)15-6-7-16-8-9-17-10-12(16,2)3/h4H,1,5-10H2,2-3H3,(H3,13,14,15).
What are the key properties of 2-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1-prop-2-enylguanidine?
2-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1-prop-2-enylguanidine has a molecular weight of 240.35 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1-prop-2-enylguanidine is sourced from PubChem (CID 137062612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).