3-[[ethylamino-(2-methylsulfanylethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide

C11H25IN4OS — CID 111344172

IUPAC3-[[ethylamino-(2-methylsulfanylethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
SMILESCCN/C(=N\CC(C)(C)C(N)=O)NCCSC.I
InChIInChI=1S/C11H24N4OS.HI/c1-5-13-10(14-6-7-17-4)15-8-11(2,3)9(12)16;/h5-8H2,1-4H3,(H2,12,16)(H2,13,14,15);1H
InChIKeyOMONLPZWAJKGEN-UHFFFAOYSA-N
MW388.32 g/mol
LogP1.03
Rot. Bonds7

About 3-[[ethylamino-(2-methylsulfanylethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide

3-[[ethylamino-(2-methylsulfanylethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide (PubChem CID 111344172) has the molecular formula C11H25IN4OS and a molecular weight of 388.32 g/mol. Its IUPAC name is 3-[[ethylamino-(2-methylsulfanylethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide.

Molecular Properties

Compound Name3-[[ethylamino-(2-methylsulfanylethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
PubChem CID111344172
Molecular FormulaC11H25IN4OS
Molecular Weight388.32 g/mol
Exact Mass388.08
IUPAC Name3-[[ethylamino-(2-methylsulfanylethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
SMILESCCN/C(=N\CC(C)(C)C(N)=O)NCCSC.I
InChIInChI=1S/C11H24N4OS.HI/c1-5-13-10(14-6-7-17-4)15-8-11(2,3)9(12)16;/h5-8H2,1-4H3,(H2,12,16)(H2,13,14,15);1H
InChIKeyOMONLPZWAJKGEN-UHFFFAOYSA-N
XLogP1.03
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[bis(ethylamino)methylideneamino]-2,2-dimethylpropanamide
CID 110916054
3-[[ethylamino-(2-methoxyethylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 110942506
3-[[ethylamino-(3-methoxypropylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 110976492
3-[[ethylamino-(prop-2-enylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 110982887
3-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 111947123
3-[[ethylamino-(propan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 111124041
3-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]-2,2-dimethylpropanamide
CID 111400881
3-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 111649324
3-[[ethylamino-[2-(furan-2-yl)ethylamino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111354123
2-(4,4-dimethylpentyl)-1-ethyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111637937
3-[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111339188
1-ethyl-2-(4-methylsulfanylbutyl)-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111627099

Frequently Asked Questions

What is the IUPAC name of 3-[[ethylamino-(2-methylsulfanylethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?
The IUPAC name of 3-[[ethylamino-(2-methylsulfanylethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide (CID 111344172) is 3-[[ethylamino-(2-methylsulfanylethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide.
What is the SMILES notation for 3-[[ethylamino-(2-methylsulfanylethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?
The canonical SMILES for 3-[[ethylamino-(2-methylsulfanylethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide is CCN/C(=N\CC(C)(C)C(N)=O)NCCSC.I.
What is the InChIKey of 3-[[ethylamino-(2-methylsulfanylethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?
The InChIKey is OMONLPZWAJKGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4OS.HI/c1-5-13-10(14-6-7-17-4)15-8-11(2,3)9(12)16;/h5-8H2,1-4H3,(H2,12,16)(H2,13,14,15);1H.
What are the key properties of 3-[[ethylamino-(2-methylsulfanylethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?
3-[[ethylamino-(2-methylsulfanylethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide has a molecular weight of 388.32 g/mol, XLogP of 1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethylamino-(2-methylsulfanylethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide is sourced from PubChem (CID 111344172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).