2-ethylguanidine

C3H9N3 — CID 29544

IUPAC2-ethylguanidine
SMILESCCN=C(N)N
InChIInChI=1S/C3H9N3/c1-2-6-3(4)5/h2H2,1H3,(H4,4,5,6)
InChIKeyKEWLVUBYGUZFKX-UHFFFAOYSA-N
MW87.13 g/mol
LogP-0.72
Rot. Bonds1

About 2-ethylguanidine

2-ethylguanidine (PubChem CID 29544) has the molecular formula C3H9N3 and a molecular weight of 87.13 g/mol. Its IUPAC name is 2-ethylguanidine.

Molecular Properties

Compound Name2-ethylguanidine
PubChem CID29544
Molecular FormulaC3H9N3
Molecular Weight87.13 g/mol
Exact Mass87.08
IUPAC Name2-ethylguanidine
SMILESCCN=C(N)N
InChIInChI=1S/C3H9N3/c1-2-6-3(4)5/h2H2,1H3,(H4,4,5,6)
InChIKeyKEWLVUBYGUZFKX-UHFFFAOYSA-N
XLogP-0.72
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.13
LogP ≤ 5-0.72
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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Related Compounds

Ethylguanidine hydrochloride
CID 11297964
2-Selenoethylguanidine
CID 6328329
Propylguanidine
CID 447907
2-Butylguanidine
CID 199249
Biguanide, 1-ethyl-, monohydrochloride
CID 12234209
N-Ethylimidodicarbonimidic diamide
CID 16446
Propylbiguanide
CID 30119
Fluoroethylguanidine
CID 55288590
Ethylcarbodiimide
CID 12973440
Propyl carbodiimide
CID 18621664
2-[1-(Diaminomethylideneamino)ethyl]guanidine
CID 19742602
Ethylcarbodiimide hydrochloride
CID 21883477

Frequently Asked Questions

What is the IUPAC name of 2-ethylguanidine?
The IUPAC name of 2-ethylguanidine (CID 29544) is 2-ethylguanidine.
What is the SMILES notation for 2-ethylguanidine?
The canonical SMILES for 2-ethylguanidine is CCN=C(N)N.
What is the InChIKey of 2-ethylguanidine?
The InChIKey is KEWLVUBYGUZFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3/c1-2-6-3(4)5/h2H2,1H3,(H4,4,5,6).
What are the key properties of 2-ethylguanidine?
2-ethylguanidine has a molecular weight of 87.13 g/mol, XLogP of -0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylguanidine is sourced from PubChem (CID 29544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).