1-[2-(diethylamino)ethyl]-2-methyl-3-prop-2-enylguanidine

C11H24N4 — CID 110981415

IUPAC1-[2-(diethylamino)ethyl]-2-methyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCCN(CC)CC
InChIInChI=1S/C11H24N4/c1-5-8-13-11(12-4)14-9-10-15(6-2)7-3/h5H,1,6-10H2,2-4H3,(H2,12,13,14)
InChIKeyXUOGWFGZGFAXCF-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.68
Rot. Bonds7

About 1-[2-(diethylamino)ethyl]-2-methyl-3-prop-2-enylguanidine

1-[2-(diethylamino)ethyl]-2-methyl-3-prop-2-enylguanidine (PubChem CID 110981415) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-2-methyl-3-prop-2-enylguanidine.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-2-methyl-3-prop-2-enylguanidine
PubChem CID110981415
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name1-[2-(diethylamino)ethyl]-2-methyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCCN(CC)CC
InChIInChI=1S/C11H24N4/c1-5-8-13-11(12-4)14-9-10-15(6-2)7-3/h5H,1,6-10H2,2-4H3,(H2,12,13,14)
InChIKeyXUOGWFGZGFAXCF-UHFFFAOYSA-N
XLogP0.68
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-[2-(diethylamino)ethyl]-2-methyl-3-prop-2-enylguanidine?
The IUPAC name of 1-[2-(diethylamino)ethyl]-2-methyl-3-prop-2-enylguanidine (CID 110981415) is 1-[2-(diethylamino)ethyl]-2-methyl-3-prop-2-enylguanidine.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-2-methyl-3-prop-2-enylguanidine?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-2-methyl-3-prop-2-enylguanidine is C=CCN/C(=N\C)NCCN(CC)CC.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-2-methyl-3-prop-2-enylguanidine?
The InChIKey is XUOGWFGZGFAXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-5-8-13-11(12-4)14-9-10-15(6-2)7-3/h5H,1,6-10H2,2-4H3,(H2,12,13,14).
What are the key properties of 1-[2-(diethylamino)ethyl]-2-methyl-3-prop-2-enylguanidine?
1-[2-(diethylamino)ethyl]-2-methyl-3-prop-2-enylguanidine has a molecular weight of 212.34 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-2-methyl-3-prop-2-enylguanidine is sourced from PubChem (CID 110981415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).