2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide

C15H31N5O2 — CID 111491692

IUPAC2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCN1CCCC1CN/C(=N/CC(=O)N(C)C)NCCOC
InChIInChI=1S/C15H31N5O2/c1-5-20-9-6-7-13(20)11-17-15(16-8-10-22-4)18-12-14(21)19(2)3/h13H,5-12H2,1-4H3,(H2,16,17,18)
InChIKeyGPRUTANRLHETGI-UHFFFAOYSA-N
MW313.45 g/mol
LogP-0.26
Rot. Bonds8

About 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111491692) has the molecular formula C15H31N5O2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID111491692
Molecular FormulaC15H31N5O2
Molecular Weight313.45 g/mol
Exact Mass313.25
IUPAC Name2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCN1CCCC1CN/C(=N/CC(=O)N(C)C)NCCOC
InChIInChI=1S/C15H31N5O2/c1-5-20-9-6-7-13(20)11-17-15(16-8-10-22-4)18-12-14(21)19(2)3/h13H,5-12H2,1-4H3,(H2,16,17,18)
InChIKeyGPRUTANRLHETGI-UHFFFAOYSA-N
XLogP-0.26
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110036359
2-[[(2-methoxyethylamino)-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111544728
2-[[(2-methoxyethylamino)-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 111544729
2-[[ethylamino-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111914477
2-[[ethylamino-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111914478
N-(2-methoxyethyl)-2-[[N'-methyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111914883
N-(2-methoxyethyl)-2-[[N'-methyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamimidoyl]amino]acetamide
CID 111914884
2-[[(2-methoxyethylamino)-(5,5,5-trifluoropentylamino)methylidene]amino]-N,N-dimethylacetamide
CID 112429225
(2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylpentanamide
CID 11160923
1-(2-Methoxyethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 47083308
2-[[(cyclohexylamino)-pyrrolidin-1-ylmethylidene]amino]-N,N-dimethylacetamide
CID 75482102
1-[[1-(2-Methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine;hydroiodide
CID 75494016

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide (CID 111491692) is 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide is CCN1CCCC1CN/C(=N/CC(=O)N(C)C)NCCOC.
What is the InChIKey of 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is GPRUTANRLHETGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5O2/c1-5-20-9-6-7-13(20)11-17-15(16-8-10-22-4)18-12-14(21)19(2)3/h13H,5-12H2,1-4H3,(H2,16,17,18).
What are the key properties of 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 313.45 g/mol, XLogP of -0.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111491692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).