1-[amino-(2,6-dimethylanilino)methylidene]-2-butan-2-ylguanidine

C14H23N5 — CID 54537324

IUPAC1-[amino-(2,6-dimethylanilino)methylidene]-2-butan-2-ylguanidine
SMILESCCC(C)/N=C(\N)N=C(N)Nc1c(C)cccc1C
InChIInChI=1S/C14H23N5/c1-5-11(4)17-13(15)19-14(16)18-12-9(2)7-6-8-10(12)3/h6-8,11H,5H2,1-4H3,(H5,15,16,17,18,19)
InChIKeyZARVDTUVXXYYKS-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.14
Rot. Bonds3

About 1-[amino-(2,6-dimethylanilino)methylidene]-2-butan-2-ylguanidine

1-[amino-(2,6-dimethylanilino)methylidene]-2-butan-2-ylguanidine (PubChem CID 54537324) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[amino-(2,6-dimethylanilino)methylidene]-2-butan-2-ylguanidine.

Molecular Properties

Compound Name1-[amino-(2,6-dimethylanilino)methylidene]-2-butan-2-ylguanidine
PubChem CID54537324
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name1-[amino-(2,6-dimethylanilino)methylidene]-2-butan-2-ylguanidine
SMILESCCC(C)/N=C(\N)N=C(N)Nc1c(C)cccc1C
InChIInChI=1S/C14H23N5/c1-5-11(4)17-13(15)19-14(16)18-12-9(2)7-6-8-10(12)3/h6-8,11H,5H2,1-4H3,(H5,15,16,17,18,19)
InChIKeyZARVDTUVXXYYKS-UHFFFAOYSA-N
XLogP2.14
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.14
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

(1E)-1-[amino-(2,6-dimethylanilino)methylidene]-2-pentylguanidine
CID 20543690
1-(2,6-dimethylphenyl)-2-ethylguanidine
CID 62378906
(1E)-1-[amino-(2,6-dimethylanilino)methylidene]-2-cyclopentylguanidine
CID 88752390
1-(2,6-dimethylphenyl)-3-(N'-pentan-2-ylcarbamimidoyl)urea;hydrochloride
CID 70615053
3-[amino-(2,6-dimethylanilino)methylidene]-1,1,2-trimethylguanidine
CID 54466798
(1E)-1-[amino-(2-methoxy-6-methylanilino)methylidene]-2-methylguanidine
CID 88751377
2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)acetamide
CID 21430532
1-(2-ethyl-6-methylphenyl)-2-methylguanidine
CID 62378878
2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride
CID 12546861
(1E)-1-[amino-(2,4,6-trimethylanilino)methylidene]-2-methylguanidine
CID 88753489
1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea;hydrochloride
CID 3052078
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-propan-2-ylamino]acetamide
CID 40760037

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(2,6-dimethylanilino)methylidene]-2-butan-2-ylguanidine?
The IUPAC name of 1-[amino-(2,6-dimethylanilino)methylidene]-2-butan-2-ylguanidine (CID 54537324) is 1-[amino-(2,6-dimethylanilino)methylidene]-2-butan-2-ylguanidine.
What is the SMILES notation for 1-[amino-(2,6-dimethylanilino)methylidene]-2-butan-2-ylguanidine?
The canonical SMILES for 1-[amino-(2,6-dimethylanilino)methylidene]-2-butan-2-ylguanidine is CCC(C)/N=C(\N)N=C(N)Nc1c(C)cccc1C.
What is the InChIKey of 1-[amino-(2,6-dimethylanilino)methylidene]-2-butan-2-ylguanidine?
The InChIKey is ZARVDTUVXXYYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-5-11(4)17-13(15)19-14(16)18-12-9(2)7-6-8-10(12)3/h6-8,11H,5H2,1-4H3,(H5,15,16,17,18,19).
What are the key properties of 1-[amino-(2,6-dimethylanilino)methylidene]-2-butan-2-ylguanidine?
1-[amino-(2,6-dimethylanilino)methylidene]-2-butan-2-ylguanidine has a molecular weight of 261.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(2,6-dimethylanilino)methylidene]-2-butan-2-ylguanidine is sourced from PubChem (CID 54537324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).