N,N-dimethyl-2-[[[(3-methylthiophen-2-yl)methylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide

C21H28N4OS — CID 119149693

IUPACN,N-dimethyl-2-[[[(3-methylthiophen-2-yl)methylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide
SMILESCc1ccsc1CN/C(=N\CC(=O)N(C)C)NC1CCc2ccccc2C1
InChIInChI=1S/C21H28N4OS/c1-15-10-11-27-19(15)13-22-21(23-14-20(26)25(2)3)24-18-9-8-16-6-4-5-7-17(16)12-18/h4-7,10-11,18H,8-9,12-14H2,1-3H3,(H2,22,23,24)
InChIKeyZVSMHJKSSJANHW-UHFFFAOYSA-N
MW384.55 g/mol
LogP2.74
Rot. Bonds5

About N,N-dimethyl-2-[[[(3-methylthiophen-2-yl)methylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[[(3-methylthiophen-2-yl)methylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide (PubChem CID 119149693) has the molecular formula C21H28N4OS and a molecular weight of 384.55 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[(3-methylthiophen-2-yl)methylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[(3-methylthiophen-2-yl)methylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide
PubChem CID119149693
Molecular FormulaC21H28N4OS
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC NameN,N-dimethyl-2-[[[(3-methylthiophen-2-yl)methylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide
SMILESCc1ccsc1CN/C(=N\CC(=O)N(C)C)NC1CCc2ccccc2C1
InChIInChI=1S/C21H28N4OS/c1-15-10-11-27-19(15)13-22-21(23-14-20(26)25(2)3)24-18-9-8-16-6-4-5-7-17(16)12-18/h4-7,10-11,18H,8-9,12-14H2,1-3H3,(H2,22,23,24)
InChIKeyZVSMHJKSSJANHW-UHFFFAOYSA-N
XLogP2.74
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 52.74
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,N-dimethyl-2-[[(1,2,3,4-tetrahydronaphthalen-2-ylamino)-(thiophen-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 111357403
2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111907662
2-[[[2-(4-fluorophenyl)ethylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111906820
2-[[[2-[di(propan-2-yl)amino]ethylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111906916
N,N-dimethyl-2-[[(1,2,3,4-tetrahydronaphthalen-2-ylamino)-[(1-thiophen-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide;hydroiodide
CID 110045658
ethyl 4-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111862439
2-[[[2-(2-methoxyphenyl)ethylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111907152
2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111907628
N,N-dimethyl-2-[[[(1-pyrimidin-2-ylpiperidin-4-yl)amino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide
CID 110039141
N,N-dimethyl-2-[[[3-(2-methylbenzimidazol-1-yl)propylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide
CID 111907367
2-[[N'-benzyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111357395
2-[[N'-[(2-methoxyphenyl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111906782

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[(3-methylthiophen-2-yl)methylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[(3-methylthiophen-2-yl)methylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide (CID 119149693) is N,N-dimethyl-2-[[[(3-methylthiophen-2-yl)methylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[(3-methylthiophen-2-yl)methylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[(3-methylthiophen-2-yl)methylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide is Cc1ccsc1CN/C(=N\CC(=O)N(C)C)NC1CCc2ccccc2C1.
What is the InChIKey of N,N-dimethyl-2-[[[(3-methylthiophen-2-yl)methylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide?
The InChIKey is ZVSMHJKSSJANHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4OS/c1-15-10-11-27-19(15)13-22-21(23-14-20(26)25(2)3)24-18-9-8-16-6-4-5-7-17(16)12-18/h4-7,10-11,18H,8-9,12-14H2,1-3H3,(H2,22,23,24).
What are the key properties of N,N-dimethyl-2-[[[(3-methylthiophen-2-yl)methylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[[(3-methylthiophen-2-yl)methylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide has a molecular weight of 384.55 g/mol, XLogP of 2.74, 5 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-methylthiophen-2-yl)methylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide is sourced from PubChem (CID 119149693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).