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

C13H27N5O2 — CID 111037050

IUPAC2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide
SMILESCCN1CCCC1CN/C(N)=N/CC(=O)NCCOC
InChIInChI=1S/C13H27N5O2/c1-3-18-7-4-5-11(18)9-16-13(14)17-10-12(19)15-6-8-20-2/h11H,3-10H2,1-2H3,(H,15,19)(H3,14,16,17)
InChIKeyRYBLSKSKOYDIEP-UHFFFAOYSA-N
MW285.39 g/mol
LogP-0.86
Rot. Bonds8

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

2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide (PubChem CID 111037050) has the molecular formula C13H27N5O2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide
PubChem CID111037050
Molecular FormulaC13H27N5O2
Molecular Weight285.39 g/mol
Exact Mass285.22
IUPAC Name2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide
SMILESCCN1CCCC1CN/C(N)=N/CC(=O)NCCOC
InChIInChI=1S/C13H27N5O2/c1-3-18-7-4-5-11(18)9-16-13(14)17-10-12(19)15-6-8-20-2/h11H,3-10H2,1-2H3,(H,15,19)(H3,14,16,17)
InChIKeyRYBLSKSKOYDIEP-UHFFFAOYSA-N
XLogP-0.86
TPSA91.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 5-0.86
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-[[(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
(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
1-[[1-(2-Methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine
CID 75494017
N-(2-methoxyethylcarbamoyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490164
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide
CID 81493129
1-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine
CID 97784556

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide (CID 111037050) is 2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide is CCN1CCCC1CN/C(N)=N/CC(=O)NCCOC.
What is the InChIKey of 2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is RYBLSKSKOYDIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5O2/c1-3-18-7-4-5-11(18)9-16-13(14)17-10-12(19)15-6-8-20-2/h11H,3-10H2,1-2H3,(H,15,19)(H3,14,16,17).
What are the key properties of 2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide?
2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 285.39 g/mol, XLogP of -0.86, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 111037050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).