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

C19H33IN4O — CID 110949567

IUPAC1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(1-phenylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC1CCCN1CCOC)NC(C)c1ccccc1.I
InChIInChI=1S/C19H32N4O.HI/c1-4-20-19(22-16(2)17-9-6-5-7-10-17)21-15-18-11-8-12-23(18)13-14-24-3;/h5-7,9-10,16,18H,4,8,11-15H2,1-3H3,(H2,20,21,22);1H
InChIKeyAHUJZIYAPZSIEU-UHFFFAOYSA-N
MW460.40 g/mol
LogP3.03
Rot. Bonds8

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

1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(1-phenylethyl)guanidine;hydroiodide (PubChem CID 110949567) has the molecular formula C19H33IN4O and a molecular weight of 460.40 g/mol. Its IUPAC name is 1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(1-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(1-phenylethyl)guanidine;hydroiodide
PubChem CID110949567
Molecular FormulaC19H33IN4O
Molecular Weight460.40 g/mol
Exact Mass460.17
IUPAC Name1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(1-phenylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC1CCCN1CCOC)NC(C)c1ccccc1.I
InChIInChI=1S/C19H32N4O.HI/c1-4-20-19(22-16(2)17-9-6-5-7-10-17)21-15-18-11-8-12-23(18)13-14-24-3;/h5-7,9-10,16,18H,4,8,11-15H2,1-3H3,(H2,20,21,22);1H
InChIKeyAHUJZIYAPZSIEU-UHFFFAOYSA-N
XLogP3.03
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1-phenylethyl)guanidine
CID 111545653
1-cyclopropyl-3-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide
CID 110989004
1-ethyl-3-(2-methoxyethyl)-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine
CID 110941788
1-ethyl-3-(1-phenylethyl)-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 110948427
1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111913208
1-benzyl-3-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1-methylguanidine;hydroiodide
CID 110951543
1-ethyl-3-(1-methoxypropan-2-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111235406
1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 111349898
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide
CID 110996844
1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-[2-(4-methoxyphenoxy)ethyl]guanidine
CID 111410321
1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide
CID 111568248
1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111415934

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(1-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(1-phenylethyl)guanidine;hydroiodide (CID 110949567) is 1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(1-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(1-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(1-phenylethyl)guanidine;hydroiodide is CCN/C(=N\CC1CCCN1CCOC)NC(C)c1ccccc1.I.
What is the InChIKey of 1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(1-phenylethyl)guanidine;hydroiodide?
The InChIKey is AHUJZIYAPZSIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O.HI/c1-4-20-19(22-16(2)17-9-6-5-7-10-17)21-15-18-11-8-12-23(18)13-14-24-3;/h5-7,9-10,16,18H,4,8,11-15H2,1-3H3,(H2,20,21,22);1H.
What are the key properties of 1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(1-phenylethyl)guanidine;hydroiodide?
1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(1-phenylethyl)guanidine;hydroiodide has a molecular weight of 460.40 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(1-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 110949567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).