1-amino-2,3-diethylguanidine

C5H14N4 — CID 18960692

IUPAC1-amino-2,3-diethylguanidine
SMILESCC/N=C(\NN)NCC
InChIInChI=1S/C5H14N4/c1-3-7-5(9-6)8-4-2/h3-4,6H2,1-2H3,(H2,7,8,9)
InChIKeyMODIVSAZZODFNO-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.56
Rot. Bonds2

About 1-amino-2,3-diethylguanidine

1-amino-2,3-diethylguanidine (PubChem CID 18960692) has the molecular formula C5H14N4 and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-amino-2,3-diethylguanidine.

Molecular Properties

Compound Name1-amino-2,3-diethylguanidine
PubChem CID18960692
Molecular FormulaC5H14N4
Molecular Weight130.19 g/mol
Exact Mass130.12
IUPAC Name1-amino-2,3-diethylguanidine
SMILESCC/N=C(\NN)NCC
InChIInChI=1S/C5H14N4/c1-3-7-5(9-6)8-4-2/h3-4,6H2,1-2H3,(H2,7,8,9)
InChIKeyMODIVSAZZODFNO-UHFFFAOYSA-N
XLogP-0.56
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-amino-2,3-diethylguanidine?
The IUPAC name of 1-amino-2,3-diethylguanidine (CID 18960692) is 1-amino-2,3-diethylguanidine.
What is the SMILES notation for 1-amino-2,3-diethylguanidine?
The canonical SMILES for 1-amino-2,3-diethylguanidine is CC/N=C(\NN)NCC.
What is the InChIKey of 1-amino-2,3-diethylguanidine?
The InChIKey is MODIVSAZZODFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4/c1-3-7-5(9-6)8-4-2/h3-4,6H2,1-2H3,(H2,7,8,9).
What are the key properties of 1-amino-2,3-diethylguanidine?
1-amino-2,3-diethylguanidine has a molecular weight of 130.19 g/mol, XLogP of -0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,3-diethylguanidine is sourced from PubChem (CID 18960692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).