2-ethyl-1-(methylamino)guanidine

C4H12N4 — CID 12523003

IUPAC2-ethyl-1-(methylamino)guanidine
SMILESCC/N=C(\N)NNC
InChIInChI=1S/C4H12N4/c1-3-7-4(5)8-6-2/h6H,3H2,1-2H3,(H3,5,7,8)
InChIKeyAQXJNXCMLLGQQL-UHFFFAOYSA-N
MW116.17 g/mol
LogP-0.95
Rot. Bonds2

About 2-ethyl-1-(methylamino)guanidine

2-ethyl-1-(methylamino)guanidine (PubChem CID 12523003) has the molecular formula C4H12N4 and a molecular weight of 116.17 g/mol. Its IUPAC name is 2-ethyl-1-(methylamino)guanidine.

Molecular Properties

Compound Name2-ethyl-1-(methylamino)guanidine
PubChem CID12523003
Molecular FormulaC4H12N4
Molecular Weight116.17 g/mol
Exact Mass116.11
IUPAC Name2-ethyl-1-(methylamino)guanidine
SMILESCC/N=C(\N)NNC
InChIInChI=1S/C4H12N4/c1-3-7-4(5)8-6-2/h6H,3H2,1-2H3,(H3,5,7,8)
InChIKeyAQXJNXCMLLGQQL-UHFFFAOYSA-N
XLogP-0.95
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.17
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
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 2-ethyl-1-(methylamino)guanidine?
The IUPAC name of 2-ethyl-1-(methylamino)guanidine (CID 12523003) is 2-ethyl-1-(methylamino)guanidine.
What is the SMILES notation for 2-ethyl-1-(methylamino)guanidine?
The canonical SMILES for 2-ethyl-1-(methylamino)guanidine is CC/N=C(\N)NNC.
What is the InChIKey of 2-ethyl-1-(methylamino)guanidine?
The InChIKey is AQXJNXCMLLGQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N4/c1-3-7-4(5)8-6-2/h6H,3H2,1-2H3,(H3,5,7,8).
What are the key properties of 2-ethyl-1-(methylamino)guanidine?
2-ethyl-1-(methylamino)guanidine has a molecular weight of 116.17 g/mol, XLogP of -0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(methylamino)guanidine is sourced from PubChem (CID 12523003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).