2-[[ethylamino-[(3-methylsulfanylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide

C14H28N4OS — CID 110041808

IUPAC2-[[ethylamino-[(3-methylsulfanylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCCN/C(=N\CC(=O)N(C)C)NC1CCCC(SC)C1
InChIInChI=1S/C14H28N4OS/c1-5-15-14(16-10-13(19)18(2)3)17-11-7-6-8-12(9-11)20-4/h11-12H,5-10H2,1-4H3,(H2,15,16,17)
InChIKeyWYBARAMRYYDMCM-UHFFFAOYSA-N
MW300.47 g/mol
LogP1.30
Rot. Bonds5

About 2-[[ethylamino-[(3-methylsulfanylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide

2-[[ethylamino-[(3-methylsulfanylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110041808) has the molecular formula C14H28N4OS and a molecular weight of 300.47 g/mol. Its IUPAC name is 2-[[ethylamino-[(3-methylsulfanylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[ethylamino-[(3-methylsulfanylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID110041808
Molecular FormulaC14H28N4OS
Molecular Weight300.47 g/mol
Exact Mass300.20
IUPAC Name2-[[ethylamino-[(3-methylsulfanylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCCN/C(=N\CC(=O)N(C)C)NC1CCCC(SC)C1
InChIInChI=1S/C14H28N4OS/c1-5-15-14(16-10-13(19)18(2)3)17-11-7-6-8-12(9-11)20-4/h11-12H,5-10H2,1-4H3,(H2,15,16,17)
InChIKeyWYBARAMRYYDMCM-UHFFFAOYSA-N
XLogP1.30
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[[N'-methyl-N-(3-methylsulfanylcyclohexyl)carbamimidoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 112056394
N-methyl-2-[[N'-methyl-N-(3-methylsulfanylcyclohexyl)carbamimidoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 112056395
2-[[N-(3-ethylsulfanylcyclohexyl)-N'-methylcarbamimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 112058038
2-[[N-(3-ethylsulfanylcyclohexyl)-N'-methylcarbamimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 112058039
2-[[ethylamino-[(3-ethylsulfanylcyclohexyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 112058046
2-[[ethylamino-[(3-ethylsulfanylcyclohexyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 112058047
2-[[(cyclohexylamino)-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 75482163
2-[[(cyclopentylamino)-(thian-3-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 86815306
2-[[(cyclopentylamino)-[[(3R)-thian-3-yl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 99854969
2-[[(cyclopentylamino)-[[(3S)-thian-3-yl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 99854970
2-[[N-(3-ethylsulfinylcyclohexyl)-N'-methylcarbamimidoyl]amino]-N-propylacetamide;hydroiodide
CID 109437628
2-[[N-(3-ethylsulfinylcyclohexyl)-N'-methylcarbamimidoyl]amino]-N-propylacetamide
CID 109437629

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[(3-methylsulfanylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[ethylamino-[(3-methylsulfanylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide (CID 110041808) is 2-[[ethylamino-[(3-methylsulfanylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[ethylamino-[(3-methylsulfanylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[ethylamino-[(3-methylsulfanylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide is CCN/C(=N\CC(=O)N(C)C)NC1CCCC(SC)C1.
What is the InChIKey of 2-[[ethylamino-[(3-methylsulfanylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is WYBARAMRYYDMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4OS/c1-5-15-14(16-10-13(19)18(2)3)17-11-7-6-8-12(9-11)20-4/h11-12H,5-10H2,1-4H3,(H2,15,16,17).
What are the key properties of 2-[[ethylamino-[(3-methylsulfanylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide?
2-[[ethylamino-[(3-methylsulfanylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 300.47 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[(3-methylsulfanylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110041808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).