1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide

C18H32IN5O2 — CID 111313165

IUPAC1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1cccnc1OC)NCC(C)(C)N1CCOCC1.I
InChIInChI=1S/C18H31N5O2.HI/c1-5-19-17(21-13-15-7-6-8-20-16(15)24-4)22-14-18(2,3)23-9-11-25-12-10-23;/h6-8H,5,9-14H2,1-4H3,(H2,19,21,22);1H
InChIKeyZOJYZFLNPWMMOP-UHFFFAOYSA-N
MW477.39 g/mol
LogP1.87
Rot. Bonds7

About 1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide

1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide (PubChem CID 111313165) has the molecular formula C18H32IN5O2 and a molecular weight of 477.39 g/mol. Its IUPAC name is 1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
PubChem CID111313165
Molecular FormulaC18H32IN5O2
Molecular Weight477.39 g/mol
Exact Mass477.16
IUPAC Name1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1cccnc1OC)NCC(C)(C)N1CCOCC1.I
InChIInChI=1S/C18H31N5O2.HI/c1-5-19-17(21-13-15-7-6-8-20-16(15)24-4)22-14-18(2,3)23-9-11-25-12-10-23;/h6-8H,5,9-14H2,1-4H3,(H2,19,21,22);1H
InChIKeyZOJYZFLNPWMMOP-UHFFFAOYSA-N
XLogP1.87
TPSA71.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.39
LogP ≤ 51.87
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-(2-methyl-2-morpholin-4-ylpropyl)-2-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111314035
2-[(2-butoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111314096
2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111313565
1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111315657
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111251656
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111314303
1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[[2-(phenylmethoxymethyl)phenyl]methyl]guanidine
CID 111315710
1-(cyclopropylmethyl)-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111870756
2-[(4-chloro-2-methoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111837961
1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111935295
1-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111313961
1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
CID 111309128

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide (CID 111313165) is 1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide is CCN/C(=N\Cc1cccnc1OC)NCC(C)(C)N1CCOCC1.I.
What is the InChIKey of 1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide?
The InChIKey is ZOJYZFLNPWMMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2.HI/c1-5-19-17(21-13-15-7-6-8-20-16(15)24-4)22-14-18(2,3)23-9-11-25-12-10-23;/h6-8H,5,9-14H2,1-4H3,(H2,19,21,22);1H.
What are the key properties of 1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide?
1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide has a molecular weight of 477.39 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111313165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).