2-ethyl-1,1,3,3-tetramethylguanidine

C7H17N3 — CID 6432070

IUPAC2-ethyl-1,1,3,3-tetramethylguanidine
SMILESCCN=C(N(C)C)N(C)C
InChIInChI=1S/C7H17N3/c1-6-8-7(9(2)3)10(4)5/h6H2,1-5H3
InChIKeyLJNQGWIMQCKPSH-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.49
Rot. Bonds1

About 2-ethyl-1,1,3,3-tetramethylguanidine

2-ethyl-1,1,3,3-tetramethylguanidine (PubChem CID 6432070) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-ethyl-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-ethyl-1,1,3,3-tetramethylguanidine
PubChem CID6432070
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name2-ethyl-1,1,3,3-tetramethylguanidine
SMILESCCN=C(N(C)C)N(C)C
InChIInChI=1S/C7H17N3/c1-6-8-7(9(2)3)10(4)5/h6H2,1-5H3
InChIKeyLJNQGWIMQCKPSH-UHFFFAOYSA-N
XLogP0.49
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.49
H-Bond Donors ≤ 50
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 2-ethyl-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-ethyl-1,1,3,3-tetramethylguanidine (CID 6432070) is 2-ethyl-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-ethyl-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-ethyl-1,1,3,3-tetramethylguanidine is CCN=C(N(C)C)N(C)C.
What is the InChIKey of 2-ethyl-1,1,3,3-tetramethylguanidine?
The InChIKey is LJNQGWIMQCKPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-6-8-7(9(2)3)10(4)5/h6H2,1-5H3.
What are the key properties of 2-ethyl-1,1,3,3-tetramethylguanidine?
2-ethyl-1,1,3,3-tetramethylguanidine has a molecular weight of 143.23 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 6432070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).