2-[[ethylamino-[3-(methoxymethyl)pyrrolidin-1-yl]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide

C14H29IN4O3 — CID 111737204

IUPAC2-[[ethylamino-[3-(methoxymethyl)pyrrolidin-1-yl]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NCCOC)N1CCC(COC)C1.I
InChIInChI=1S/C14H28N4O3.HI/c1-4-15-14(17-9-13(19)16-6-8-20-2)18-7-5-12(10-18)11-21-3;/h12H,4-11H2,1-3H3,(H,15,17)(H,16,19);1H
InChIKeyHFSHDOUNBGQBSF-UHFFFAOYSA-N
MW428.32 g/mol
LogP0.30
Rot. Bonds8

About 2-[[ethylamino-[3-(methoxymethyl)pyrrolidin-1-yl]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide

2-[[ethylamino-[3-(methoxymethyl)pyrrolidin-1-yl]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide (PubChem CID 111737204) has the molecular formula C14H29IN4O3 and a molecular weight of 428.32 g/mol. Its IUPAC name is 2-[[ethylamino-[3-(methoxymethyl)pyrrolidin-1-yl]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-[3-(methoxymethyl)pyrrolidin-1-yl]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
PubChem CID111737204
Molecular FormulaC14H29IN4O3
Molecular Weight428.32 g/mol
Exact Mass428.13
IUPAC Name2-[[ethylamino-[3-(methoxymethyl)pyrrolidin-1-yl]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NCCOC)N1CCC(COC)C1.I
InChIInChI=1S/C14H28N4O3.HI/c1-4-15-14(17-9-13(19)16-6-8-20-2)18-7-5-12(10-18)11-21-3;/h12H,4-11H2,1-3H3,(H,15,17)(H,16,19);1H
InChIKeyHFSHDOUNBGQBSF-UHFFFAOYSA-N
XLogP0.30
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.32
LogP ≤ 50.30
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[ethylamino-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111747793
2-[[ethylamino-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111527269
N-ethyl-N'-(2-methoxyethyl)-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111736890
2-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111154586
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 111737903
N-ethyl-3-(methoxymethyl)-N'-prop-2-ynylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143443
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[3-(2-methoxyethoxy)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111747794
N-ethyl-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111746458
N-[2-[[ethylamino-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111746194
N-ethyl-N'-[2-(methanesulfonamido)ethyl]-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 111736435
N-ethyl-3-(2-methoxyethoxymethyl)-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111746658
N-cyclopentyl-3-[[ethylamino-[3-(methoxymethyl)pyrrolidin-1-yl]methylidene]amino]propanamide
CID 111736603

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[3-(methoxymethyl)pyrrolidin-1-yl]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-[3-(methoxymethyl)pyrrolidin-1-yl]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide (CID 111737204) is 2-[[ethylamino-[3-(methoxymethyl)pyrrolidin-1-yl]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-[3-(methoxymethyl)pyrrolidin-1-yl]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-[3-(methoxymethyl)pyrrolidin-1-yl]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide is CCN/C(=N\CC(=O)NCCOC)N1CCC(COC)C1.I.
What is the InChIKey of 2-[[ethylamino-[3-(methoxymethyl)pyrrolidin-1-yl]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
The InChIKey is HFSHDOUNBGQBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O3.HI/c1-4-15-14(17-9-13(19)16-6-8-20-2)18-7-5-12(10-18)11-21-3;/h12H,4-11H2,1-3H3,(H,15,17)(H,16,19);1H.
What are the key properties of 2-[[ethylamino-[3-(methoxymethyl)pyrrolidin-1-yl]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
2-[[ethylamino-[3-(methoxymethyl)pyrrolidin-1-yl]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide has a molecular weight of 428.32 g/mol, XLogP of 0.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[3-(methoxymethyl)pyrrolidin-1-yl]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide is sourced from PubChem (CID 111737204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).