1-tert-butyl-2-ethylguanidine

C7H17N3 — CID 58319936

IUPAC1-tert-butyl-2-ethylguanidine
SMILESCC/N=C(\N)NC(C)(C)C
InChIInChI=1S/C7H17N3/c1-5-9-6(8)10-7(2,3)4/h5H2,1-4H3,(H3,8,9,10)
InChIKeyRJEHVTUDZHXEOV-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.71
Rot. Bonds1

About 1-tert-butyl-2-ethylguanidine

1-tert-butyl-2-ethylguanidine (PubChem CID 58319936) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-tert-butyl-2-ethylguanidine.

Molecular Properties

Compound Name1-tert-butyl-2-ethylguanidine
PubChem CID58319936
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name1-tert-butyl-2-ethylguanidine
SMILESCC/N=C(\N)NC(C)(C)C
InChIInChI=1S/C7H17N3/c1-5-9-6(8)10-7(2,3)4/h5H2,1-4H3,(H3,8,9,10)
InChIKeyRJEHVTUDZHXEOV-UHFFFAOYSA-N
XLogP0.71
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.71
H-Bond Donors ≤ 52
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-tert-butyl-2-ethylguanidine?
The IUPAC name of 1-tert-butyl-2-ethylguanidine (CID 58319936) is 1-tert-butyl-2-ethylguanidine.
What is the SMILES notation for 1-tert-butyl-2-ethylguanidine?
The canonical SMILES for 1-tert-butyl-2-ethylguanidine is CC/N=C(\N)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-ethylguanidine?
The InChIKey is RJEHVTUDZHXEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-5-9-6(8)10-7(2,3)4/h5H2,1-4H3,(H3,8,9,10).
What are the key properties of 1-tert-butyl-2-ethylguanidine?
1-tert-butyl-2-ethylguanidine has a molecular weight of 143.23 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-ethylguanidine is sourced from PubChem (CID 58319936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).