1-ethylideneguanidine

C3H7N3 — CID 56623125

IUPAC1-ethylideneguanidine
SMILES[H]/N=C(\N)N=CC
InChIInChI=1S/C3H7N3/c1-2-6-3(4)5/h2H,1H3,(H3,4,5)
InChIKeyGWZYVKHABWNQLS-UHFFFAOYSA-N
MW85.11 g/mol
LogP-0.03
Rot. Bonds

About 1-ethylideneguanidine

1-ethylideneguanidine (PubChem CID 56623125) has the molecular formula C3H7N3 and a molecular weight of 85.11 g/mol. Its IUPAC name is 1-ethylideneguanidine.

Molecular Properties

Compound Name1-ethylideneguanidine
PubChem CID56623125
Molecular FormulaC3H7N3
Molecular Weight85.11 g/mol
Exact Mass85.06
IUPAC Name1-ethylideneguanidine
SMILES[H]/N=C(\N)N=CC
InChIInChI=1S/C3H7N3/c1-2-6-3(4)5/h2H,1H3,(H3,4,5)
InChIKeyGWZYVKHABWNQLS-UHFFFAOYSA-N
XLogP-0.03
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 5-0.03
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

Imidazol-2-imine
CID 17829364
Imidazol-2-ylideneazanium
CID 57324822
1,4-Diaza-1,3-pentadiene
CID 91262358
N-Methylideneethanimidamide
CID 17915164
N-ethylideneethanimidamide
CID 20656499
1-(Diaminomethylidene)-3-ethylideneguanidine
CID 57174340
(1Z)-1-ethylidene-2-methylguanidine
CID 59960391
(1Z)-1-ethylidene-3-methylideneguanidine
CID 60098799
1-Ethylidene-2-methylguanidine
CID 73694423
(3E)-1-(diaminomethylidene)-3-ethylideneguanidine
CID 87452965
N-ethylidene-N'-methanimidoylethanimidamide
CID 88586883
N-[(ethylideneamino)methylidene]ethanimidamide
CID 89579297

Frequently Asked Questions

What is the IUPAC name of 1-ethylideneguanidine?
The IUPAC name of 1-ethylideneguanidine (CID 56623125) is 1-ethylideneguanidine.
What is the SMILES notation for 1-ethylideneguanidine?
The canonical SMILES for 1-ethylideneguanidine is [H]/N=C(\N)N=CC.
What is the InChIKey of 1-ethylideneguanidine?
The InChIKey is GWZYVKHABWNQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3/c1-2-6-3(4)5/h2H,1H3,(H3,4,5).
What are the key properties of 1-ethylideneguanidine?
1-ethylideneguanidine has a molecular weight of 85.11 g/mol, XLogP of -0.03, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylideneguanidine is sourced from PubChem (CID 56623125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).