1-ethyl-1,2-dimethylguanidine

C5H13N3 — CID 21191499

IUPAC1-ethyl-1,2-dimethylguanidine
SMILESCCN(C)/C(N)=N/C
InChIInChI=1S/C5H13N3/c1-4-8(3)5(6)7-2/h4H2,1-3H3,(H2,6,7)
InChIKeyRMWXQMGADHAFMU-UHFFFAOYSA-N
MW115.18 g/mol
LogP-0.12
Rot. Bonds1

About 1-ethyl-1,2-dimethylguanidine

1-ethyl-1,2-dimethylguanidine (PubChem CID 21191499) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is 1-ethyl-1,2-dimethylguanidine.

Molecular Properties

Compound Name1-ethyl-1,2-dimethylguanidine
PubChem CID21191499
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC Name1-ethyl-1,2-dimethylguanidine
SMILESCCN(C)/C(N)=N/C
InChIInChI=1S/C5H13N3/c1-4-8(3)5(6)7-2/h4H2,1-3H3,(H2,6,7)
InChIKeyRMWXQMGADHAFMU-UHFFFAOYSA-N
XLogP-0.12
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-1,2-dimethylguanidine?
The IUPAC name of 1-ethyl-1,2-dimethylguanidine (CID 21191499) is 1-ethyl-1,2-dimethylguanidine.
What is the SMILES notation for 1-ethyl-1,2-dimethylguanidine?
The canonical SMILES for 1-ethyl-1,2-dimethylguanidine is CCN(C)/C(N)=N/C.
What is the InChIKey of 1-ethyl-1,2-dimethylguanidine?
The InChIKey is RMWXQMGADHAFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3/c1-4-8(3)5(6)7-2/h4H2,1-3H3,(H2,6,7).
What are the key properties of 1-ethyl-1,2-dimethylguanidine?
1-ethyl-1,2-dimethylguanidine has a molecular weight of 115.18 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,2-dimethylguanidine is sourced from PubChem (CID 21191499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).