3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide

C10H23IN4O — CID 111072569

IUPAC3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
SMILESCC(C)(C)N/C(N)=N/CC(C)(C)C(N)=O.I
InChIInChI=1S/C10H22N4O.HI/c1-9(2,3)14-8(12)13-6-10(4,5)7(11)15;/h6H2,1-5H3,(H2,11,15)(H3,12,13,14);1H
InChIKeyROYHQKQELGGPOA-UHFFFAOYSA-N
MW342.23 g/mol
LogP0.82
Rot. Bonds3

About 3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide

3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide (PubChem CID 111072569) has the molecular formula C10H23IN4O and a molecular weight of 342.23 g/mol. Its IUPAC name is 3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide.

Molecular Properties

Compound Name3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
PubChem CID111072569
Molecular FormulaC10H23IN4O
Molecular Weight342.23 g/mol
Exact Mass342.09
IUPAC Name3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
SMILESCC(C)(C)N/C(N)=N/CC(C)(C)C(N)=O.I
InChIInChI=1S/C10H22N4O.HI/c1-9(2,3)14-8(12)13-6-10(4,5)7(11)15;/h6H2,1-5H3,(H2,11,15)(H3,12,13,14);1H
InChIKeyROYHQKQELGGPOA-UHFFFAOYSA-N
XLogP0.82
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 50.82
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

3-[[amino-(tert-butylamino)methylidene]amino]-N-propylpropanamide;hydroiodide
CID 53573589
3-[[Amino-(tert-butylamino)methylidene]amino]propanamide
CID 62361757
2-[[Amino-(tert-butylamino)methylidene]amino]propanamide
CID 62363080
3-[[amino-(tert-butylamino)methylidene]amino]-N,N-dimethylpropanamide
CID 62363255
4-[[Amino-(tert-butylamino)methylidene]amino]butanamide
CID 62363960
3-[[amino-(tert-butylamino)methylidene]amino]-N-methylpropanamide
CID 62364683
3-[[Amino(propylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 103646369
3-[[Amino-(2-methylpropylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 103646370
3-[[Amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 103646371
3-[[amino-(tert-butylamino)methylidene]amino]-N,2,2-trimethylpropanamide
CID 103822792
3-[[amino(propylamino)methylidene]amino]-N,2,2-trimethylpropanamide
CID 103822793
3-[[amino(ethylamino)methylidene]amino]-N,2,2-trimethylpropanamide
CID 103822795

Frequently Asked Questions

What is the IUPAC name of 3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?
The IUPAC name of 3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide (CID 111072569) is 3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide.
What is the SMILES notation for 3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?
The canonical SMILES for 3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide is CC(C)(C)N/C(N)=N/CC(C)(C)C(N)=O.I.
What is the InChIKey of 3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?
The InChIKey is ROYHQKQELGGPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O.HI/c1-9(2,3)14-8(12)13-6-10(4,5)7(11)15;/h6H2,1-5H3,(H2,11,15)(H3,12,13,14);1H.
What are the key properties of 3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?
3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide has a molecular weight of 342.23 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide is sourced from PubChem (CID 111072569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).