2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide

C14H23IN4O — CID 119117585

IUPAC2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
SMILESCc1cc(C)cc(N/C(N)=N/CC(=O)NC(C)C)c1.I
InChIInChI=1S/C14H22N4O.HI/c1-9(2)17-13(19)8-16-14(15)18-12-6-10(3)5-11(4)7-12;/h5-7,9H,8H2,1-4H3,(H,17,19)(H3,15,16,18);1H
InChIKeyBRKOUHKWXHLDRV-UHFFFAOYSA-N
MW390.27 g/mol
LogP2.17
Rot. Bonds4

About 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide

2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide (PubChem CID 119117585) has the molecular formula C14H23IN4O and a molecular weight of 390.27 g/mol. Its IUPAC name is 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
PubChem CID119117585
Molecular FormulaC14H23IN4O
Molecular Weight390.27 g/mol
Exact Mass390.09
IUPAC Name2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
SMILESCc1cc(C)cc(N/C(N)=N/CC(=O)NC(C)C)c1.I
InChIInChI=1S/C14H22N4O.HI/c1-9(2)17-13(19)8-16-14(15)18-12-6-10(3)5-11(4)7-12;/h5-7,9H,8H2,1-4H3,(H,17,19)(H3,15,16,18);1H
InChIKeyBRKOUHKWXHLDRV-UHFFFAOYSA-N
XLogP2.17
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 52.17
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[amino-(4-ethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
CID 119117591
2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111083886
1-(3,5-dimethylphenyl)-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine
CID 119120935
1-(3,5-dimethylphenyl)-3-propan-2-ylurea
CID 4054179
2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
CID 119142479
1-(3,5-dimethylphenyl)-2-[2-[di(propan-2-yl)amino]ethyl]guanidine
CID 111026274
3-[[amino(anilino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 110913325
1-(3,5-dimethylphenyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111074656
2-[[amino-(3-methylanilino)methylidene]amino]-N-(cyanomethyl)acetamide;hydroiodide
CID 120973958
1-(3,5-dimethylphenyl)-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine
CID 111970363
N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111094961
4-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111066097

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide?
The IUPAC name of 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide (CID 119117585) is 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide is Cc1cc(C)cc(N/C(N)=N/CC(=O)NC(C)C)c1.I.
What is the InChIKey of 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide?
The InChIKey is BRKOUHKWXHLDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O.HI/c1-9(2)17-13(19)8-16-14(15)18-12-6-10(3)5-11(4)7-12;/h5-7,9H,8H2,1-4H3,(H,17,19)(H3,15,16,18);1H.
What are the key properties of 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide?
2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide has a molecular weight of 390.27 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide is sourced from PubChem (CID 119117585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).