2-[[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C19H34IN5OS — CID 110038754

IUPAC2-[[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCN1CCCC1CN(C)/C(=N/CC(=O)N(C)C)NCCc1cccs1.I
InChIInChI=1S/C19H33N5OS.HI/c1-5-24-12-6-8-16(24)15-23(4)19(21-14-18(25)22(2)3)20-11-10-17-9-7-13-26-17;/h7,9,13,16H,5-6,8,10-12,14-15H2,1-4H3,(H,20,21);1H
InChIKeyUVKITVZWJXCFHX-UHFFFAOYSA-N
MW507.49 g/mol
LogP2.36
Rot. Bonds8

About 2-[[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 110038754) has the molecular formula C19H34IN5OS and a molecular weight of 507.49 g/mol. Its IUPAC name is 2-[[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID110038754
Molecular FormulaC19H34IN5OS
Molecular Weight507.49 g/mol
Exact Mass507.15
IUPAC Name2-[[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCN1CCCC1CN(C)/C(=N/CC(=O)N(C)C)NCCc1cccs1.I
InChIInChI=1S/C19H33N5OS.HI/c1-5-24-12-6-8-16(24)15-23(4)19(21-14-18(25)22(2)3)20-11-10-17-9-7-13-26-17;/h7,9,13,16H,5-6,8,10-12,14-15H2,1-4H3,(H,20,21);1H
InChIKeyUVKITVZWJXCFHX-UHFFFAOYSA-N
XLogP2.36
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-[[pyrrolidin-1-yl-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111492931
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79312516
2-[bis(2-thiophen-2-ylethylamino)methylideneamino]-N,N-dimethylacetamide
CID 111861665
2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110048588
2-[[(cyclohexylmethylamino)-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111860532
2-butyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]-1-methylguanidine
CID 110053986
2-[[[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110039633
N,N-dimethyl-2-[[[3-(2-methylpropyl)pyrrolidin-1-yl]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 110041407
2-[[butylamino-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111350043
N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111841975
2-[[[[4-(difluoromethoxy)phenyl]methyl-methylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110037664
N,N-dimethyl-2-[[(2-thiophen-2-ylethylamino)-[(1-thiophen-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide;hydroiodide
CID 110045684

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 110038754) is 2-[[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CCN1CCCC1CN(C)/C(=N/CC(=O)N(C)C)NCCc1cccs1.I.
What is the InChIKey of 2-[[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is UVKITVZWJXCFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5OS.HI/c1-5-24-12-6-8-16(24)15-23(4)19(21-14-18(25)22(2)3)20-11-10-17-9-7-13-26-17;/h7,9,13,16H,5-6,8,10-12,14-15H2,1-4H3,(H,20,21);1H.
What are the key properties of 2-[[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 507.49 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 110038754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).