2-(2-iminoethyl)guanidine

C3H8N4 — CID 57236490

IUPAC2-(2-iminoethyl)guanidine
SMILES[H]/N=C/CN=C(N)N
InChIInChI=1S/C3H8N4/c4-1-2-7-3(5)6/h1,4H,2H2,(H4,5,6,7)/b4-1+
InChIKeyAICLIOKLZJBARX-DAFODLJHSA-N
MW100.12 g/mol
LogP-1.09
Rot. Bonds2

About 2-(2-iminoethyl)guanidine

2-(2-iminoethyl)guanidine (PubChem CID 57236490) has the molecular formula C3H8N4 and a molecular weight of 100.12 g/mol. Its IUPAC name is 2-(2-iminoethyl)guanidine.

Molecular Properties

Compound Name2-(2-iminoethyl)guanidine
PubChem CID57236490
Molecular FormulaC3H8N4
Molecular Weight100.12 g/mol
Exact Mass100.07
IUPAC Name2-(2-iminoethyl)guanidine
SMILES[H]/N=C/CN=C(N)N
InChIInChI=1S/C3H8N4/c4-1-2-7-3(5)6/h1,4H,2H2,(H4,5,6,7)/b4-1+
InChIKeyAICLIOKLZJBARX-DAFODLJHSA-N
XLogP-1.09
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-1.09
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'}

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Related Compounds

4H-imidazol-2-amine
CID 12744657
1-(Diaminomethylidene)-3-ethylideneguanidine
CID 57174340
(1Z)-1-ethylidene-2-methylguanidine
CID 59960391
4H-imidazol-2-amine;hydroiodide
CID 70573546
1-Ethylidene-2-methylguanidine
CID 73694423
(3E)-1-(diaminomethylidene)-3-ethylideneguanidine
CID 87452965
2-N'-ethyl-2-N-ethylidene-1-N'-methylethanediimidamide
CID 89016563
[Amino-(imidazol-2-ylideneamino)methylidene]azanium
CID 91130870
2-Ethyl-1-ethylideneguanidine
CID 123166090
1-(2-Aminoethylidene)guanidine
CID 123548998
[(E)-[(2E)-2-(aminomethylimino)ethylidene]amino]methanamine
CID 129088343
(1Z)-2-amino-1-[amino-[(E)-ethylideneamino]methylidene]guanidine
CID 141037865

Frequently Asked Questions

What is the IUPAC name of 2-(2-iminoethyl)guanidine?
The IUPAC name of 2-(2-iminoethyl)guanidine (CID 57236490) is 2-(2-iminoethyl)guanidine.
What is the SMILES notation for 2-(2-iminoethyl)guanidine?
The canonical SMILES for 2-(2-iminoethyl)guanidine is [H]/N=C/CN=C(N)N.
What is the InChIKey of 2-(2-iminoethyl)guanidine?
The InChIKey is AICLIOKLZJBARX-DAFODLJHSA-N. The full InChI is InChI=1S/C3H8N4/c4-1-2-7-3(5)6/h1,4H,2H2,(H4,5,6,7)/b4-1+.
What are the key properties of 2-(2-iminoethyl)guanidine?
2-(2-iminoethyl)guanidine has a molecular weight of 100.12 g/mol, XLogP of -1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iminoethyl)guanidine is sourced from PubChem (CID 57236490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).