2-[[ethylamino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide

C15H31N5O2 — CID 111262453

IUPAC2-[[ethylamino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide
SMILESCCN/C(=N\CC(=O)NCCOC)NCC1CCCN1CC
InChIInChI=1S/C15H31N5O2/c1-4-16-15(19-12-14(21)17-8-10-22-3)18-11-13-7-6-9-20(13)5-2/h13H,4-12H2,1-3H3,(H,17,21)(H2,16,18,19)
InChIKeyYCUHGALJCMLYEZ-UHFFFAOYSA-N
MW313.45 g/mol
LogP-0.21
Rot. Bonds9

About 2-[[ethylamino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide

2-[[ethylamino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide (PubChem CID 111262453) has the molecular formula C15H31N5O2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 2-[[ethylamino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[ethylamino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide
PubChem CID111262453
Molecular FormulaC15H31N5O2
Molecular Weight313.45 g/mol
Exact Mass313.25
IUPAC Name2-[[ethylamino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide
SMILESCCN/C(=N\CC(=O)NCCOC)NCC1CCCN1CC
InChIInChI=1S/C15H31N5O2/c1-4-16-15(19-12-14(21)17-8-10-22-3)18-11-13-7-6-9-20(13)5-2/h13H,4-12H2,1-3H3,(H,17,21)(H2,16,18,19)
InChIKeyYCUHGALJCMLYEZ-UHFFFAOYSA-N
XLogP-0.21
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
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
1-(2-Methoxyethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 47083308
1-[[1-(2-Methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine;hydroiodide
CID 75494016
1-[[1-(2-Methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine
CID 75494017
1-Butyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine;hydroiodide
CID 75533318
1-Butyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine
CID 75533319

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[ethylamino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide (CID 111262453) is 2-[[ethylamino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[ethylamino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[ethylamino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide is CCN/C(=N\CC(=O)NCCOC)NCC1CCCN1CC.
What is the InChIKey of 2-[[ethylamino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is YCUHGALJCMLYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5O2/c1-4-16-15(19-12-14(21)17-8-10-22-3)18-11-13-7-6-9-20(13)5-2/h13H,4-12H2,1-3H3,(H,17,21)(H2,16,18,19).
What are the key properties of 2-[[ethylamino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide?
2-[[ethylamino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 313.45 g/mol, XLogP of -0.21, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 111262453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).