1-cyclopropyl-1-methyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide

C18H29IN4O2 — CID 110030640

IUPAC1-cyclopropyl-1-methyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
SMILESCN(/C(N)=N/Cc1cccc(OCCN2CCOCC2)c1)C1CC1.I
InChIInChI=1S/C18H28N4O2.HI/c1-21(16-5-6-16)18(19)20-14-15-3-2-4-17(13-15)24-12-9-22-7-10-23-11-8-22;/h2-4,13,16H,5-12,14H2,1H3,(H2,19,20);1H
InChIKeySFCDMCDVRHUTPR-UHFFFAOYSA-N
MW460.36 g/mol
LogP1.92
Rot. Bonds7

About 1-cyclopropyl-1-methyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide

1-cyclopropyl-1-methyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide (PubChem CID 110030640) has the molecular formula C18H29IN4O2 and a molecular weight of 460.36 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
PubChem CID110030640
Molecular FormulaC18H29IN4O2
Molecular Weight460.36 g/mol
Exact Mass460.13
IUPAC Name1-cyclopropyl-1-methyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
SMILESCN(/C(N)=N/Cc1cccc(OCCN2CCOCC2)c1)C1CC1.I
InChIInChI=1S/C18H28N4O2.HI/c1-21(16-5-6-16)18(19)20-14-15-3-2-4-17(13-15)24-12-9-22-7-10-23-11-8-22;/h2-4,13,16H,5-12,14H2,1H3,(H2,19,20);1H
InChIKeySFCDMCDVRHUTPR-UHFFFAOYSA-N
XLogP1.92
TPSA63.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-1-methyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide (CID 110030640) is 1-cyclopropyl-1-methyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide is CN(/C(N)=N/Cc1cccc(OCCN2CCOCC2)c1)C1CC1.I.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide?
The InChIKey is SFCDMCDVRHUTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2.HI/c1-21(16-5-6-16)18(19)20-14-15-3-2-4-17(13-15)24-12-9-22-7-10-23-11-8-22;/h2-4,13,16H,5-12,14H2,1H3,(H2,19,20);1H.
What are the key properties of 1-cyclopropyl-1-methyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide?
1-cyclopropyl-1-methyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide has a molecular weight of 460.36 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 110030640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).