1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-(2-methylcyclopropyl)guanidine;hydroiodide

C15H31IN4O2 — CID 111657763

IUPAC1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-(2-methylcyclopropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)(O)CN1CCOCC1)NC1CC1C.I
InChIInChI=1S/C15H30N4O2.HI/c1-4-16-14(18-13-9-12(13)2)17-10-15(3,20)11-19-5-7-21-8-6-19;/h12-13,20H,4-11H2,1-3H3,(H2,16,17,18);1H
InChIKeyKNZJLWGNGMKLAN-UHFFFAOYSA-N
MW426.34 g/mol
LogP0.65
Rot. Bonds6

About 1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-(2-methylcyclopropyl)guanidine;hydroiodide

1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-(2-methylcyclopropyl)guanidine;hydroiodide (PubChem CID 111657763) has the molecular formula C15H31IN4O2 and a molecular weight of 426.34 g/mol. Its IUPAC name is 1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-(2-methylcyclopropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-(2-methylcyclopropyl)guanidine;hydroiodide
PubChem CID111657763
Molecular FormulaC15H31IN4O2
Molecular Weight426.34 g/mol
Exact Mass426.15
IUPAC Name1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-(2-methylcyclopropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)(O)CN1CCOCC1)NC1CC1C.I
InChIInChI=1S/C15H30N4O2.HI/c1-4-16-14(18-13-9-12(13)2)17-10-15(3,20)11-19-5-7-21-8-6-19;/h12-13,20H,4-11H2,1-3H3,(H2,16,17,18);1H
InChIKeyKNZJLWGNGMKLAN-UHFFFAOYSA-N
XLogP0.65
TPSA69.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.34
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 111658323
1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111658102
1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111657275
1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111657862
1-ethyl-3-hexyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111658944
1-(2-ethoxyethyl)-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111658184
1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111658320
1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]guanidine
CID 111658122
1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111657779
1-(3-ethoxypropyl)-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111658274
1-ethyl-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111658890
1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine
CID 111657412

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-(2-methylcyclopropyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-(2-methylcyclopropyl)guanidine;hydroiodide (CID 111657763) is 1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-(2-methylcyclopropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-(2-methylcyclopropyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-(2-methylcyclopropyl)guanidine;hydroiodide is CCN/C(=N\CC(C)(O)CN1CCOCC1)NC1CC1C.I.
What is the InChIKey of 1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-(2-methylcyclopropyl)guanidine;hydroiodide?
The InChIKey is KNZJLWGNGMKLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2.HI/c1-4-16-14(18-13-9-12(13)2)17-10-15(3,20)11-19-5-7-21-8-6-19;/h12-13,20H,4-11H2,1-3H3,(H2,16,17,18);1H.
What are the key properties of 1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-(2-methylcyclopropyl)guanidine;hydroiodide?
1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-(2-methylcyclopropyl)guanidine;hydroiodide has a molecular weight of 426.34 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-(2-methylcyclopropyl)guanidine;hydroiodide is sourced from PubChem (CID 111657763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).