N,N-dimethyl-2-[[[(3-methylsulfanylcyclohexyl)amino]-(propylamino)methylidene]amino]acetamide

C15H30N4OS — CID 110041812

IUPACN,N-dimethyl-2-[[[(3-methylsulfanylcyclohexyl)amino]-(propylamino)methylidene]amino]acetamide
SMILESCCCN/C(=N\CC(=O)N(C)C)NC1CCCC(SC)C1
InChIInChI=1S/C15H30N4OS/c1-5-9-16-15(17-11-14(20)19(2)3)18-12-7-6-8-13(10-12)21-4/h12-13H,5-11H2,1-4H3,(H2,16,17,18)
InChIKeyJFIHPRQPJAIBRW-UHFFFAOYSA-N
MW314.50 g/mol
LogP1.69
Rot. Bonds6

About N,N-dimethyl-2-[[[(3-methylsulfanylcyclohexyl)amino]-(propylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[[(3-methylsulfanylcyclohexyl)amino]-(propylamino)methylidene]amino]acetamide (PubChem CID 110041812) has the molecular formula C15H30N4OS and a molecular weight of 314.50 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[(3-methylsulfanylcyclohexyl)amino]-(propylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[(3-methylsulfanylcyclohexyl)amino]-(propylamino)methylidene]amino]acetamide
PubChem CID110041812
Molecular FormulaC15H30N4OS
Molecular Weight314.50 g/mol
Exact Mass314.21
IUPAC NameN,N-dimethyl-2-[[[(3-methylsulfanylcyclohexyl)amino]-(propylamino)methylidene]amino]acetamide
SMILESCCCN/C(=N\CC(=O)N(C)C)NC1CCCC(SC)C1
InChIInChI=1S/C15H30N4OS/c1-5-9-16-15(17-11-14(20)19(2)3)18-12-7-6-8-13(10-12)21-4/h12-13H,5-11H2,1-4H3,(H2,16,17,18)
InChIKeyJFIHPRQPJAIBRW-UHFFFAOYSA-N
XLogP1.69
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 51.69
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 N,N-dimethyl-2-[[[(3-methylsulfanylcyclohexyl)amino]-(propylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[(3-methylsulfanylcyclohexyl)amino]-(propylamino)methylidene]amino]acetamide (CID 110041812) is N,N-dimethyl-2-[[[(3-methylsulfanylcyclohexyl)amino]-(propylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[(3-methylsulfanylcyclohexyl)amino]-(propylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[(3-methylsulfanylcyclohexyl)amino]-(propylamino)methylidene]amino]acetamide is CCCN/C(=N\CC(=O)N(C)C)NC1CCCC(SC)C1.
What is the InChIKey of N,N-dimethyl-2-[[[(3-methylsulfanylcyclohexyl)amino]-(propylamino)methylidene]amino]acetamide?
The InChIKey is JFIHPRQPJAIBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4OS/c1-5-9-16-15(17-11-14(20)19(2)3)18-12-7-6-8-13(10-12)21-4/h12-13H,5-11H2,1-4H3,(H2,16,17,18).
What are the key properties of N,N-dimethyl-2-[[[(3-methylsulfanylcyclohexyl)amino]-(propylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[[(3-methylsulfanylcyclohexyl)amino]-(propylamino)methylidene]amino]acetamide has a molecular weight of 314.50 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[(3-methylsulfanylcyclohexyl)amino]-(propylamino)methylidene]amino]acetamide is sourced from PubChem (CID 110041812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).