(1E)-1-[amino-(2-methoxy-6-methylanilino)methylidene]-2-methylguanidine

C11H17N5O — CID 88751377

IUPAC(1E)-1-[amino-(2-methoxy-6-methylanilino)methylidene]-2-methylguanidine
SMILESC/N=C(N)/N=C(\N)Nc1c(C)cccc1OC
InChIInChI=1S/C11H17N5O/c1-7-5-4-6-8(17-3)9(7)15-11(13)16-10(12)14-2/h4-6H,1-3H3,(H5,12,13,14,15,16)
InChIKeyKJPIPUPFIHABHL-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.67
Rot. Bonds2

About (1E)-1-[amino-(2-methoxy-6-methylanilino)methylidene]-2-methylguanidine

(1E)-1-[amino-(2-methoxy-6-methylanilino)methylidene]-2-methylguanidine (PubChem CID 88751377) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is (1E)-1-[amino-(2-methoxy-6-methylanilino)methylidene]-2-methylguanidine.

Molecular Properties

Compound Name(1E)-1-[amino-(2-methoxy-6-methylanilino)methylidene]-2-methylguanidine
PubChem CID88751377
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name(1E)-1-[amino-(2-methoxy-6-methylanilino)methylidene]-2-methylguanidine
SMILESC/N=C(N)/N=C(\N)Nc1c(C)cccc1OC
InChIInChI=1S/C11H17N5O/c1-7-5-4-6-8(17-3)9(7)15-11(13)16-10(12)14-2/h4-6H,1-3H3,(H5,12,13,14,15,16)
InChIKeyKJPIPUPFIHABHL-UHFFFAOYSA-N
XLogP0.67
TPSA98.02 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.67
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

(1Z)-1-[amino-(2-methoxy-6-methylanilino)methylidene]-2-methylguanidine
CID 20543730
1-(2-methoxy-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride
CID 3049570
3-[amino-(2,6-dimethylanilino)methylidene]-1,1,2-trimethylguanidine
CID 54466798
(1E)-1-[amino-(2,4,6-trimethylanilino)methylidene]-2-methylguanidine
CID 88753489
(1E)-1-[amino-(2,6-dimethylanilino)methylidene]-2-cyclopentylguanidine
CID 88752390
1-[amino-(2,6-dimethylanilino)methylidene]-2-butan-2-ylguanidine
CID 54537324
(1E)-1-[amino-(2,6-dimethylanilino)methylidene]-2-pentylguanidine
CID 20543690
1-(2-ethyl-6-methylphenyl)-2-methylguanidine
CID 62378878
1-(2-methoxy-6-methylphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 123792711
N-ethyl-2-methoxy-6-methylaniline
CID 22769655
1-[(ethylhydrazinylidene)methyl]-3-(2-methoxy-6-methylphenyl)urea;hydrochloride
CID 168664999
2-[bis(2-chloroethyl)amino]-N-(2-methoxy-6-methylphenyl)acetamide
CID 122536323

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[amino-(2-methoxy-6-methylanilino)methylidene]-2-methylguanidine?
The IUPAC name of (1E)-1-[amino-(2-methoxy-6-methylanilino)methylidene]-2-methylguanidine (CID 88751377) is (1E)-1-[amino-(2-methoxy-6-methylanilino)methylidene]-2-methylguanidine.
What is the SMILES notation for (1E)-1-[amino-(2-methoxy-6-methylanilino)methylidene]-2-methylguanidine?
The canonical SMILES for (1E)-1-[amino-(2-methoxy-6-methylanilino)methylidene]-2-methylguanidine is C/N=C(N)/N=C(\N)Nc1c(C)cccc1OC.
What is the InChIKey of (1E)-1-[amino-(2-methoxy-6-methylanilino)methylidene]-2-methylguanidine?
The InChIKey is KJPIPUPFIHABHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-7-5-4-6-8(17-3)9(7)15-11(13)16-10(12)14-2/h4-6H,1-3H3,(H5,12,13,14,15,16).
What are the key properties of (1E)-1-[amino-(2-methoxy-6-methylanilino)methylidene]-2-methylguanidine?
(1E)-1-[amino-(2-methoxy-6-methylanilino)methylidene]-2-methylguanidine has a molecular weight of 235.29 g/mol, XLogP of 0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[amino-(2-methoxy-6-methylanilino)methylidene]-2-methylguanidine is sourced from PubChem (CID 88751377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).