N,N-dimethyl-2-[[[(1-thiophen-2-ylcyclohexyl)methylamino]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide

C21H30N4OS2 — CID 111637354

IUPACN,N-dimethyl-2-[[[(1-thiophen-2-ylcyclohexyl)methylamino]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide
SMILESCN(C)C(=O)C/N=C(\NCc1cccs1)NCC1(c2cccs2)CCCCC1
InChIInChI=1S/C21H30N4OS2/c1-25(2)19(26)15-23-20(22-14-17-8-6-12-27-17)24-16-21(10-4-3-5-11-21)18-9-7-13-28-18/h6-9,12-13H,3-5,10-11,14-16H2,1-2H3,(H2,22,23,24)
InChIKeyKHWQDSKLOCLCOT-UHFFFAOYSA-N
MW418.63 g/mol
LogP3.84
Rot. Bonds7

About N,N-dimethyl-2-[[[(1-thiophen-2-ylcyclohexyl)methylamino]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[[(1-thiophen-2-ylcyclohexyl)methylamino]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide (PubChem CID 111637354) has the molecular formula C21H30N4OS2 and a molecular weight of 418.63 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[(1-thiophen-2-ylcyclohexyl)methylamino]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[(1-thiophen-2-ylcyclohexyl)methylamino]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide
PubChem CID111637354
Molecular FormulaC21H30N4OS2
Molecular Weight418.63 g/mol
Exact Mass418.19
IUPAC NameN,N-dimethyl-2-[[[(1-thiophen-2-ylcyclohexyl)methylamino]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide
SMILESCN(C)C(=O)C/N=C(\NCc1cccs1)NCC1(c2cccs2)CCCCC1
InChIInChI=1S/C21H30N4OS2/c1-25(2)19(26)15-23-20(22-14-17-8-6-12-27-17)24-16-21(10-4-3-5-11-21)18-9-7-13-28-18/h6-9,12-13H,3-5,10-11,14-16H2,1-2H3,(H2,22,23,24)
InChIKeyKHWQDSKLOCLCOT-UHFFFAOYSA-N
XLogP3.84
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.63
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N,N-dimethyl-2-[[[(1-thiophen-2-ylcyclohexyl)methylamino]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide with MolForge

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Related Compounds

2-[[[(1-ethylcyclobutyl)methylamino]-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043582
2-[[[[1-(3-fluorophenyl)cyclopropyl]methylamino]-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111639173
N-ethyl-2-[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]acetamide;hydroiodide
CID 111637219
N,N-dimethyl-2-[[(prop-2-enylamino)-(thiophen-2-ylmethylamino)methylidene]amino]acetamide
CID 110982281
N,N-dimethyl-2-[[[(5-methylthiophen-2-yl)methylamino]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide
CID 111363793
N,N-dimethyl-2-[[[(4-phenylcyclohexyl)amino]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110039506
N,N-dimethyl-2-[[(thian-3-ylamino)-(thiophen-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110042640
2-[[ethylamino-[(1-phenylcyclobutyl)methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111364849
2-[[[(1-acetylpiperidin-4-yl)amino]-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 119133403
2-[[(3-cyclopentylpropylamino)-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111364231
2-[[[(3-ethylsulfanylcyclohexyl)amino]-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110042577
N,N-dimethyl-2-[[[(1-phenylpiperidin-3-yl)amino]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110041497

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[(1-thiophen-2-ylcyclohexyl)methylamino]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[(1-thiophen-2-ylcyclohexyl)methylamino]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide (CID 111637354) is N,N-dimethyl-2-[[[(1-thiophen-2-ylcyclohexyl)methylamino]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[(1-thiophen-2-ylcyclohexyl)methylamino]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[(1-thiophen-2-ylcyclohexyl)methylamino]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide is CN(C)C(=O)C/N=C(\NCc1cccs1)NCC1(c2cccs2)CCCCC1.
What is the InChIKey of N,N-dimethyl-2-[[[(1-thiophen-2-ylcyclohexyl)methylamino]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide?
The InChIKey is KHWQDSKLOCLCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4OS2/c1-25(2)19(26)15-23-20(22-14-17-8-6-12-27-17)24-16-21(10-4-3-5-11-21)18-9-7-13-28-18/h6-9,12-13H,3-5,10-11,14-16H2,1-2H3,(H2,22,23,24).
What are the key properties of N,N-dimethyl-2-[[[(1-thiophen-2-ylcyclohexyl)methylamino]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[[(1-thiophen-2-ylcyclohexyl)methylamino]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide has a molecular weight of 418.63 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[(1-thiophen-2-ylcyclohexyl)methylamino]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide is sourced from PubChem (CID 111637354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).