1-(dimethylamino)-2-ethylguanidine

C5H14N4 — CID 83017823

IUPAC1-(dimethylamino)-2-ethylguanidine
SMILESCC/N=C(\N)NN(C)C
InChIInChI=1S/C5H14N4/c1-4-7-5(6)8-9(2)3/h4H2,1-3H3,(H3,6,7,8)
InChIKeySRNKGQJJVVJJAW-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.61
Rot. Bonds2

About 1-(dimethylamino)-2-ethylguanidine

1-(dimethylamino)-2-ethylguanidine (PubChem CID 83017823) has the molecular formula C5H14N4 and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-(dimethylamino)-2-ethylguanidine.

Molecular Properties

Compound Name1-(dimethylamino)-2-ethylguanidine
PubChem CID83017823
Molecular FormulaC5H14N4
Molecular Weight130.19 g/mol
Exact Mass130.12
IUPAC Name1-(dimethylamino)-2-ethylguanidine
SMILESCC/N=C(\N)NN(C)C
InChIInChI=1S/C5H14N4/c1-4-7-5(6)8-9(2)3/h4H2,1-3H3,(H3,6,7,8)
InChIKeySRNKGQJJVVJJAW-UHFFFAOYSA-N
XLogP-0.61
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.61
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-ethylguanidine?
The IUPAC name of 1-(dimethylamino)-2-ethylguanidine (CID 83017823) is 1-(dimethylamino)-2-ethylguanidine.
What is the SMILES notation for 1-(dimethylamino)-2-ethylguanidine?
The canonical SMILES for 1-(dimethylamino)-2-ethylguanidine is CC/N=C(\N)NN(C)C.
What is the InChIKey of 1-(dimethylamino)-2-ethylguanidine?
The InChIKey is SRNKGQJJVVJJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4/c1-4-7-5(6)8-9(2)3/h4H2,1-3H3,(H3,6,7,8).
What are the key properties of 1-(dimethylamino)-2-ethylguanidine?
1-(dimethylamino)-2-ethylguanidine has a molecular weight of 130.19 g/mol, XLogP of -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-ethylguanidine is sourced from PubChem (CID 83017823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).