3-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide

C17H35IN4O2S — CID 109440264

IUPAC3-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide
SMILESCCN/C(=N\CC(C)(C)C(=O)NC)NC1CCCC(S(=O)CC)C1.I
InChIInChI=1S/C17H34N4O2S.HI/c1-6-19-16(20-12-17(3,4)15(22)18-5)21-13-9-8-10-14(11-13)24(23)7-2;/h13-14H,6-12H2,1-5H3,(H,18,22)(H2,19,20,21);1H
InChIKeyBFKXJQPANKGPFE-UHFFFAOYSA-N
MW486.46 g/mol
LogP2.01
Rot. Bonds7

About 3-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide

3-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide (PubChem CID 109440264) has the molecular formula C17H35IN4O2S and a molecular weight of 486.46 g/mol. Its IUPAC name is 3-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide.

Molecular Properties

Compound Name3-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide
PubChem CID109440264
Molecular FormulaC17H35IN4O2S
Molecular Weight486.46 g/mol
Exact Mass486.15
IUPAC Name3-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide
SMILESCCN/C(=N\CC(C)(C)C(=O)NC)NC1CCCC(S(=O)CC)C1.I
InChIInChI=1S/C17H34N4O2S.HI/c1-6-19-16(20-12-17(3,4)15(22)18-5)21-13-9-8-10-14(11-13)24(23)7-2;/h13-14H,6-12H2,1-5H3,(H,18,22)(H2,19,20,21);1H
InChIKeyBFKXJQPANKGPFE-UHFFFAOYSA-N
XLogP2.01
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.46
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

Analyze 3-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide with MolForge

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Related Compounds

N-ethyl-2-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]acetamide;hydroiodide
CID 109437984
N-ethyl-2-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]acetamide
CID 109437985
N-[2-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109438506
1-ethyl-2-(2-ethylbutyl)-3-(3-ethylsulfinylcyclohexyl)guanidine
CID 109438567
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 109438738
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[(4-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 109439382
methyl 3-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]-2-methylpropanoate;hydroiodide
CID 109437272
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-(3-methylbutyl)guanidine
CID 109438691
tert-butyl N-[2-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]ethyl]-N-methylcarbamate;hydroiodide
CID 109439304
N-[2-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]ethyl]cyclopropanecarboxamide
CID 109438003
N-[3-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 109437114
4-[[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]methyl]-N-methylbenzamide
CID 109438781

Frequently Asked Questions

What is the IUPAC name of 3-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide?
The IUPAC name of 3-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide (CID 109440264) is 3-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide.
What is the SMILES notation for 3-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide?
The canonical SMILES for 3-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide is CCN/C(=N\CC(C)(C)C(=O)NC)NC1CCCC(S(=O)CC)C1.I.
What is the InChIKey of 3-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide?
The InChIKey is BFKXJQPANKGPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2S.HI/c1-6-19-16(20-12-17(3,4)15(22)18-5)21-13-9-8-10-14(11-13)24(23)7-2;/h13-14H,6-12H2,1-5H3,(H,18,22)(H2,19,20,21);1H.
What are the key properties of 3-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide?
3-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide has a molecular weight of 486.46 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide is sourced from PubChem (CID 109440264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).