N-ethyl-2-[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]acetamide;hydroiodide

C18H31IN4OS — CID 111637219

IUPACN-ethyl-2-[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]acetamide;hydroiodide
SMILESCCNC(=O)C/N=C(\NCC)NCC1(c2cccs2)CCCCC1.I
InChIInChI=1S/C18H30N4OS.HI/c1-3-19-16(23)13-21-17(20-4-2)22-14-18(10-6-5-7-11-18)15-9-8-12-24-15;/h8-9,12H,3-7,10-11,13-14H2,1-2H3,(H,19,23)(H2,20,21,22);1H
InChIKeyOBEPIGIUIXIJMH-UHFFFAOYSA-N
MW478.44 g/mol
LogP3.26
Rot. Bonds7

About N-ethyl-2-[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]acetamide;hydroiodide

N-ethyl-2-[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]acetamide;hydroiodide (PubChem CID 111637219) has the molecular formula C18H31IN4OS and a molecular weight of 478.44 g/mol. Its IUPAC name is N-ethyl-2-[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-2-[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]acetamide;hydroiodide
PubChem CID111637219
Molecular FormulaC18H31IN4OS
Molecular Weight478.44 g/mol
Exact Mass478.13
IUPAC NameN-ethyl-2-[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]acetamide;hydroiodide
SMILESCCNC(=O)C/N=C(\NCC)NCC1(c2cccs2)CCCCC1.I
InChIInChI=1S/C18H30N4OS.HI/c1-3-19-16(23)13-21-17(20-4-2)22-14-18(10-6-5-7-11-18)15-9-8-12-24-15;/h8-9,12H,3-7,10-11,13-14H2,1-2H3,(H,19,23)(H2,20,21,22);1H
InChIKeyOBEPIGIUIXIJMH-UHFFFAOYSA-N
XLogP3.26
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.44
LogP ≤ 53.26
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'}

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Related Compounds

1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111637119
N-ethyl-2-[[ethylamino-[(1-phenylcyclopropyl)methylamino]methylidene]amino]acetamide
CID 111855792
N-cyclopropyl-2-[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]acetamide
CID 111852544
N,N-dimethyl-2-[[[(1-thiophen-2-ylcyclohexyl)methylamino]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide
CID 111637354
1-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111637111
N-[2-[[N-ethyl-N'-[(1-thiophen-2-ylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111637285
3-[[N'-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111637439
N-[5-[[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide
CID 111637476
1-ethyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111637267
3-[[N'-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]carbamimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111637297
2,2-dimethyl-N-[2-[[N'-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111637073
1-ethyl-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine
CID 111637430

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N-ethyl-2-[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]acetamide;hydroiodide (CID 111637219) is N-ethyl-2-[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N-ethyl-2-[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N-ethyl-2-[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]acetamide;hydroiodide is CCNC(=O)C/N=C(\NCC)NCC1(c2cccs2)CCCCC1.I.
What is the InChIKey of N-ethyl-2-[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]acetamide;hydroiodide?
The InChIKey is OBEPIGIUIXIJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4OS.HI/c1-3-19-16(23)13-21-17(20-4-2)22-14-18(10-6-5-7-11-18)15-9-8-12-24-15;/h8-9,12H,3-7,10-11,13-14H2,1-2H3,(H,19,23)(H2,20,21,22);1H.
What are the key properties of N-ethyl-2-[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]acetamide;hydroiodide?
N-ethyl-2-[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]acetamide;hydroiodide has a molecular weight of 478.44 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 111637219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).