1-(2-cyanoethyl)-2-ethyl-1-methylguanidine

C7H14N4 — CID 62360280

IUPAC1-(2-cyanoethyl)-2-ethyl-1-methylguanidine
SMILESCC/N=C(\N)N(C)CCC#N
InChIInChI=1S/C7H14N4/c1-3-10-7(9)11(2)6-4-5-8/h3-4,6H2,1-2H3,(H2,9,10)
InChIKeyXDHDBVAZEMMYIC-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.17
Rot. Bonds3

About 1-(2-cyanoethyl)-2-ethyl-1-methylguanidine

1-(2-cyanoethyl)-2-ethyl-1-methylguanidine (PubChem CID 62360280) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-2-ethyl-1-methylguanidine.

Molecular Properties

Compound Name1-(2-cyanoethyl)-2-ethyl-1-methylguanidine
PubChem CID62360280
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name1-(2-cyanoethyl)-2-ethyl-1-methylguanidine
SMILESCC/N=C(\N)N(C)CCC#N
InChIInChI=1S/C7H14N4/c1-3-10-7(9)11(2)6-4-5-8/h3-4,6H2,1-2H3,(H2,9,10)
InChIKeyXDHDBVAZEMMYIC-UHFFFAOYSA-N
XLogP0.17
TPSA65.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-cyanoethyl)-2-ethyl-1-methylguanidine?
The IUPAC name of 1-(2-cyanoethyl)-2-ethyl-1-methylguanidine (CID 62360280) is 1-(2-cyanoethyl)-2-ethyl-1-methylguanidine.
What is the SMILES notation for 1-(2-cyanoethyl)-2-ethyl-1-methylguanidine?
The canonical SMILES for 1-(2-cyanoethyl)-2-ethyl-1-methylguanidine is CC/N=C(\N)N(C)CCC#N.
What is the InChIKey of 1-(2-cyanoethyl)-2-ethyl-1-methylguanidine?
The InChIKey is XDHDBVAZEMMYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-3-10-7(9)11(2)6-4-5-8/h3-4,6H2,1-2H3,(H2,9,10).
What are the key properties of 1-(2-cyanoethyl)-2-ethyl-1-methylguanidine?
1-(2-cyanoethyl)-2-ethyl-1-methylguanidine has a molecular weight of 154.22 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethyl)-2-ethyl-1-methylguanidine is sourced from PubChem (CID 62360280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).