(1E)-1-[amino-(2,4,6-triethylanilino)methylidene]-2-methylguanidine

C15H25N5 — CID 88755153

IUPAC(1E)-1-[amino-(2,4,6-triethylanilino)methylidene]-2-methylguanidine
SMILESCCc1cc(CC)c(N/C(N)=N/C(N)=N/C)c(CC)c1
InChIInChI=1S/C15H25N5/c1-5-10-8-11(6-2)13(12(7-3)9-10)19-15(17)20-14(16)18-4/h8-9H,5-7H2,1-4H3,(H5,16,17,18,19,20)
InChIKeySQAWVLCFZCYSCX-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.04
Rot. Bonds4

About (1E)-1-[amino-(2,4,6-triethylanilino)methylidene]-2-methylguanidine

(1E)-1-[amino-(2,4,6-triethylanilino)methylidene]-2-methylguanidine (PubChem CID 88755153) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is (1E)-1-[amino-(2,4,6-triethylanilino)methylidene]-2-methylguanidine.

Molecular Properties

Compound Name(1E)-1-[amino-(2,4,6-triethylanilino)methylidene]-2-methylguanidine
PubChem CID88755153
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name(1E)-1-[amino-(2,4,6-triethylanilino)methylidene]-2-methylguanidine
SMILESCCc1cc(CC)c(N/C(N)=N/C(N)=N/C)c(CC)c1
InChIInChI=1S/C15H25N5/c1-5-10-8-11(6-2)13(12(7-3)9-10)19-15(17)20-14(16)18-4/h8-9H,5-7H2,1-4H3,(H5,16,17,18,19,20)
InChIKeySQAWVLCFZCYSCX-UHFFFAOYSA-N
XLogP2.04
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.04
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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Related Compounds

(1Z)-1-[amino-(2-chloro-6-ethylanilino)methylidene]-2-methylguanidine
CID 20543814
(1E)-1-[amino-(2,4,6-trimethylanilino)methylidene]-2-methylguanidine
CID 88753489
1,3-bis(2,4,6-triethylphenyl)thiourea
CID 156865136
2-phenyl-N-(2,4,6-triethylphenyl)acetamide
CID 3115580
[3,5-diethyl-4-[(N'-methylcarbamimidoyl)carbamoylamino]phenyl] acetate
CID 70469504
1-[amino-(1H-pyrrol-3-ylamino)methylidene]-2-methylguanidine
CID 123696738
(1E)-1-[amino-(2-chloro-6-fluoroanilino)methylidene]-2-methylguanidine
CID 20543679
1-(2-ethyl-6-methylphenyl)-2-methylguanidine
CID 62378878
(2,4,6-triethylphenyl)aluminum(2+)
CID 22768319
(1E)-1-[amino-[3-nitro-4-(trifluoromethyl)anilino]methylidene]-2-methylguanidine
CID 21492902
1-(diaminomethylidene)-3-(4-ethyl-2-fluoro-6-methylphenyl)urea
CID 23348828
3,5-diethyl-4-[(N'-ethylcarbamimidoyl)carbamoylamino]benzoic acid
CID 166630945

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[amino-(2,4,6-triethylanilino)methylidene]-2-methylguanidine?
The IUPAC name of (1E)-1-[amino-(2,4,6-triethylanilino)methylidene]-2-methylguanidine (CID 88755153) is (1E)-1-[amino-(2,4,6-triethylanilino)methylidene]-2-methylguanidine.
What is the SMILES notation for (1E)-1-[amino-(2,4,6-triethylanilino)methylidene]-2-methylguanidine?
The canonical SMILES for (1E)-1-[amino-(2,4,6-triethylanilino)methylidene]-2-methylguanidine is CCc1cc(CC)c(N/C(N)=N/C(N)=N/C)c(CC)c1.
What is the InChIKey of (1E)-1-[amino-(2,4,6-triethylanilino)methylidene]-2-methylguanidine?
The InChIKey is SQAWVLCFZCYSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-5-10-8-11(6-2)13(12(7-3)9-10)19-15(17)20-14(16)18-4/h8-9H,5-7H2,1-4H3,(H5,16,17,18,19,20).
What are the key properties of (1E)-1-[amino-(2,4,6-triethylanilino)methylidene]-2-methylguanidine?
(1E)-1-[amino-(2,4,6-triethylanilino)methylidene]-2-methylguanidine has a molecular weight of 275.40 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[amino-(2,4,6-triethylanilino)methylidene]-2-methylguanidine is sourced from PubChem (CID 88755153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).