1-ethyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide

C20H42IN5O2 — CID 111930917

IUPAC1-ethyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C(C)C)N1CCOCC1)NCC1CCCN1CCOC.I
InChIInChI=1S/C20H41N5O2.HI/c1-5-21-20(22-15-18-7-6-8-24(18)9-12-26-4)23-16-19(17(2)3)25-10-13-27-14-11-25;/h17-19H,5-16H2,1-4H3,(H2,21,22,23);1H
InChIKeyWBVSYLJBKWISIJ-UHFFFAOYSA-N
MW511.49 g/mol
LogP1.63
Rot. Bonds10

About 1-ethyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide

1-ethyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide (PubChem CID 111930917) has the molecular formula C20H42IN5O2 and a molecular weight of 511.49 g/mol. Its IUPAC name is 1-ethyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
PubChem CID111930917
Molecular FormulaC20H42IN5O2
Molecular Weight511.49 g/mol
Exact Mass511.24
IUPAC Name1-ethyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C(C)C)N1CCOCC1)NCC1CCCN1CCOC.I
InChIInChI=1S/C20H41N5O2.HI/c1-5-21-20(22-15-18-7-6-8-24(18)9-12-26-4)23-16-19(17(2)3)25-10-13-27-14-11-25;/h17-19H,5-16H2,1-4H3,(H2,21,22,23);1H
InChIKeyWBVSYLJBKWISIJ-UHFFFAOYSA-N
XLogP1.63
TPSA61.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.49
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

1-ethyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111935458
1-ethyl-2-(2-methoxy-3,3-dimethylbutyl)-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine
CID 111711409
1-ethyl-3-(2-methoxyethyl)-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 110942554
1-ethyl-3-(2-methoxyethyl)-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 110942553
1-ethyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111673615
1-ethyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine
CID 111673616
2-(2,2-diethyl-4-hydroxybutyl)-1-ethyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide
CID 111716763
1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111417114
1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 111931790
2-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-1-ethyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide
CID 111702569
N-tert-butyl-2-[[ethylamino-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methylamino]methylidene]amino]acetamide;hydroiodide
CID 111384004
1-(2-cyclopropylethyl)-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111604738

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide (CID 111930917) is 1-ethyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide is CCN/C(=N\CC(C(C)C)N1CCOCC1)NCC1CCCN1CCOC.I.
What is the InChIKey of 1-ethyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide?
The InChIKey is WBVSYLJBKWISIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N5O2.HI/c1-5-21-20(22-15-18-7-6-8-24(18)9-12-26-4)23-16-19(17(2)3)25-10-13-27-14-11-25;/h17-19H,5-16H2,1-4H3,(H2,21,22,23);1H.
What are the key properties of 1-ethyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide?
1-ethyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide has a molecular weight of 511.49 g/mol, XLogP of 1.63, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide is sourced from PubChem (CID 111930917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).