N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[methyl(thiophen-3-ylmethyl)amino]methylidene]amino]acetamide

C15H24N4OS — CID 111375888

IUPACN,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[methyl(thiophen-3-ylmethyl)amino]methylidene]amino]acetamide
SMILESC=C(C)CN/C(=N\CC(=O)N(C)C)N(C)Cc1ccsc1
InChIInChI=1S/C15H24N4OS/c1-12(2)8-16-15(17-9-14(20)18(3)4)19(5)10-13-6-7-21-11-13/h6-7,11H,1,8-10H2,2-5H3,(H,16,17)
InChIKeyXEMAGQADUOJFFG-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.79
Rot. Bonds6

About N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[methyl(thiophen-3-ylmethyl)amino]methylidene]amino]acetamide

N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[methyl(thiophen-3-ylmethyl)amino]methylidene]amino]acetamide (PubChem CID 111375888) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[methyl(thiophen-3-ylmethyl)amino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[methyl(thiophen-3-ylmethyl)amino]methylidene]amino]acetamide
PubChem CID111375888
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC NameN,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[methyl(thiophen-3-ylmethyl)amino]methylidene]amino]acetamide
SMILESC=C(C)CN/C(=N\CC(=O)N(C)C)N(C)Cc1ccsc1
InChIInChI=1S/C15H24N4OS/c1-12(2)8-16-15(17-9-14(20)18(3)4)19(5)10-13-6-7-21-11-13/h6-7,11H,1,8-10H2,2-5H3,(H,16,17)
InChIKeyXEMAGQADUOJFFG-UHFFFAOYSA-N
XLogP1.79
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-[[[methyl(thiophen-3-ylmethyl)amino]-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 110038264
2-[[[(4-chloro-3-fluorophenyl)methyl-methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110049314
2-[[[(5-bromothiophen-2-yl)methyl-methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111363462
N,N-dimethyl-2-[[[methyl-[(1-methylpyrrol-2-yl)methyl]amino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide
CID 110047354
N,N-dimethyl-2-[[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide;hydroiodide
CID 111414642
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]methylidene]amino]acetamide;hydroiodide
CID 110038808
2-[[[2-(4-fluorophenoxy)ethyl-methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111419028
N,N-dimethyl-2-[[[methyl-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]amino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide
CID 110049164
2-[[ethylamino-[(4-ethylphenyl)methyl-methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111283428
N,N-dimethyl-2-[[[methyl-[(4-methylphenyl)methyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide
CID 111289549
2-[[[(3-chlorophenyl)methyl-methylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111305994
2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 60685569

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[methyl(thiophen-3-ylmethyl)amino]methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[methyl(thiophen-3-ylmethyl)amino]methylidene]amino]acetamide (CID 111375888) is N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[methyl(thiophen-3-ylmethyl)amino]methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[methyl(thiophen-3-ylmethyl)amino]methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[methyl(thiophen-3-ylmethyl)amino]methylidene]amino]acetamide is C=C(C)CN/C(=N\CC(=O)N(C)C)N(C)Cc1ccsc1.
What is the InChIKey of N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[methyl(thiophen-3-ylmethyl)amino]methylidene]amino]acetamide?
The InChIKey is XEMAGQADUOJFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-12(2)8-16-15(17-9-14(20)18(3)4)19(5)10-13-6-7-21-11-13/h6-7,11H,1,8-10H2,2-5H3,(H,16,17).
What are the key properties of N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[methyl(thiophen-3-ylmethyl)amino]methylidene]amino]acetamide?
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[methyl(thiophen-3-ylmethyl)amino]methylidene]amino]acetamide has a molecular weight of 308.45 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[methyl(thiophen-3-ylmethyl)amino]methylidene]amino]acetamide is sourced from PubChem (CID 111375888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).