(1Z)-1-[amino-(2-chloro-6-ethylanilino)methylidene]-2-methylguanidine

C11H16ClN5 — CID 20543814

IUPAC(1Z)-1-[amino-(2-chloro-6-ethylanilino)methylidene]-2-methylguanidine
SMILESCCc1cccc(Cl)c1N/C(N)=N\C(N)=N\C
InChIInChI=1S/C11H16ClN5/c1-3-7-5-4-6-8(12)9(7)16-11(14)17-10(13)15-2/h4-6H,3H2,1-2H3,(H5,13,14,15,16,17)
InChIKeyRBEITTHHPALXOR-UHFFFAOYSA-N
MW253.74 g/mol
LogP1.57
Rot. Bonds2

About (1Z)-1-[amino-(2-chloro-6-ethylanilino)methylidene]-2-methylguanidine

(1Z)-1-[amino-(2-chloro-6-ethylanilino)methylidene]-2-methylguanidine (PubChem CID 20543814) has the molecular formula C11H16ClN5 and a molecular weight of 253.74 g/mol. Its IUPAC name is (1Z)-1-[amino-(2-chloro-6-ethylanilino)methylidene]-2-methylguanidine.

Molecular Properties

Compound Name(1Z)-1-[amino-(2-chloro-6-ethylanilino)methylidene]-2-methylguanidine
PubChem CID20543814
Molecular FormulaC11H16ClN5
Molecular Weight253.74 g/mol
Exact Mass253.11
IUPAC Name(1Z)-1-[amino-(2-chloro-6-ethylanilino)methylidene]-2-methylguanidine
SMILESCCc1cccc(Cl)c1N/C(N)=N\C(N)=N\C
InChIInChI=1S/C11H16ClN5/c1-3-7-5-4-6-8(12)9(7)16-11(14)17-10(13)15-2/h4-6H,3H2,1-2H3,(H5,13,14,15,16,17)
InChIKeyRBEITTHHPALXOR-UHFFFAOYSA-N
XLogP1.57
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.74
LogP ≤ 51.57
H-Bond Donors ≤ 53
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-[amino-(2-chloro-6-ethylanilino)methylidene]-2-methylguanidine?
The IUPAC name of (1Z)-1-[amino-(2-chloro-6-ethylanilino)methylidene]-2-methylguanidine (CID 20543814) is (1Z)-1-[amino-(2-chloro-6-ethylanilino)methylidene]-2-methylguanidine.
What is the SMILES notation for (1Z)-1-[amino-(2-chloro-6-ethylanilino)methylidene]-2-methylguanidine?
The canonical SMILES for (1Z)-1-[amino-(2-chloro-6-ethylanilino)methylidene]-2-methylguanidine is CCc1cccc(Cl)c1N/C(N)=N\C(N)=N\C.
What is the InChIKey of (1Z)-1-[amino-(2-chloro-6-ethylanilino)methylidene]-2-methylguanidine?
The InChIKey is RBEITTHHPALXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5/c1-3-7-5-4-6-8(12)9(7)16-11(14)17-10(13)15-2/h4-6H,3H2,1-2H3,(H5,13,14,15,16,17).
What are the key properties of (1Z)-1-[amino-(2-chloro-6-ethylanilino)methylidene]-2-methylguanidine?
(1Z)-1-[amino-(2-chloro-6-ethylanilino)methylidene]-2-methylguanidine has a molecular weight of 253.74 g/mol, XLogP of 1.57, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[amino-(2-chloro-6-ethylanilino)methylidene]-2-methylguanidine is sourced from PubChem (CID 20543814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).