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

C13H28IN5O2 — CID 111037049

IUPAC2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
SMILESCCN1CCCC1CN/C(N)=N/CC(=O)NCCOC.I
InChIInChI=1S/C13H27N5O2.HI/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);1H
InChIKeyJZRWWEBFVVWUMJ-UHFFFAOYSA-N
MW413.30 g/mol
LogP-0.24
Rot. Bonds8

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

2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide (PubChem CID 111037049) has the molecular formula C13H28IN5O2 and a molecular weight of 413.30 g/mol. Its IUPAC name is 2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
PubChem CID111037049
Molecular FormulaC13H28IN5O2
Molecular Weight413.30 g/mol
Exact Mass413.13
IUPAC Name2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
SMILESCCN1CCCC1CN/C(N)=N/CC(=O)NCCOC.I
InChIInChI=1S/C13H27N5O2.HI/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);1H
InChIKeyJZRWWEBFVVWUMJ-UHFFFAOYSA-N
XLogP-0.24
TPSA91.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.30
LogP ≤ 5-0.24
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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-Butyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine;hydroiodide
CID 75533318
2-[(N'-ethylcarbamimidoyl)amino]-N-(2-methoxyethyl)propanamide
CID 104398951
2-[[amino-(propan-2-ylamino)methylidene]amino]-N-(2-methoxyethyl)propanamide
CID 104398952
2-[(N'-cyclohexylcarbamimidoyl)amino]-N-(2-methoxyethyl)propanamide
CID 104398953

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
The IUPAC name of 2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide (CID 111037049) is 2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide is CCN1CCCC1CN/C(N)=N/CC(=O)NCCOC.I.
What is the InChIKey of 2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
The InChIKey is JZRWWEBFVVWUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5O2.HI/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);1H.
What are the key properties of 2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide has a molecular weight of 413.30 g/mol, XLogP of -0.24, 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;hydroiodide is sourced from PubChem (CID 111037049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).