(1Z)-1-ethylidene-2-methylguanidine

C4H9N3 — CID 59960391

IUPAC(1Z)-1-ethylidene-2-methylguanidine
SMILESC/C=N\C(N)=N\C
InChIInChI=1S/C4H9N3/c1-3-7-4(5)6-2/h3H,1-2H3,(H2,5,6)/b7-3-
InChIKeyROIAHQRLNDNWNO-CLTKARDFSA-N
MW99.14 g/mol
LogP0.02
Rot. Bonds

About (1Z)-1-ethylidene-2-methylguanidine

(1Z)-1-ethylidene-2-methylguanidine (PubChem CID 59960391) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is (1Z)-1-ethylidene-2-methylguanidine.

Molecular Properties

Compound Name(1Z)-1-ethylidene-2-methylguanidine
PubChem CID59960391
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC Name(1Z)-1-ethylidene-2-methylguanidine
SMILESC/C=N\C(N)=N\C
InChIInChI=1S/C4H9N3/c1-3-7-4(5)6-2/h3H,1-2H3,(H2,5,6)/b7-3-
InChIKeyROIAHQRLNDNWNO-CLTKARDFSA-N
XLogP0.02
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 50.02
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-ethylidene-2-methylguanidine?
The IUPAC name of (1Z)-1-ethylidene-2-methylguanidine (CID 59960391) is (1Z)-1-ethylidene-2-methylguanidine.
What is the SMILES notation for (1Z)-1-ethylidene-2-methylguanidine?
The canonical SMILES for (1Z)-1-ethylidene-2-methylguanidine is C/C=N\C(N)=N\C.
What is the InChIKey of (1Z)-1-ethylidene-2-methylguanidine?
The InChIKey is ROIAHQRLNDNWNO-CLTKARDFSA-N. The full InChI is InChI=1S/C4H9N3/c1-3-7-4(5)6-2/h3H,1-2H3,(H2,5,6)/b7-3-.
What are the key properties of (1Z)-1-ethylidene-2-methylguanidine?
(1Z)-1-ethylidene-2-methylguanidine has a molecular weight of 99.14 g/mol, XLogP of 0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-ethylidene-2-methylguanidine is sourced from PubChem (CID 59960391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).