1-(3-morpholin-4-ylpropyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide

C19H33IN4O2 — CID 111074310

IUPAC1-(3-morpholin-4-ylpropyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide
SMILESI.N/C(=N\CCCOCCc1ccccc1)NCCCN1CCOCC1
InChIInChI=1S/C19H32N4O2.HI/c20-19(21-9-4-11-23-12-16-25-17-13-23)22-10-5-14-24-15-8-18-6-2-1-3-7-18;/h1-3,6-7H,4-5,8-17H2,(H3,20,21,22);1H
InChIKeyNQWFRUAAMRNLST-UHFFFAOYSA-N
MW476.40 g/mol
LogP1.88
Rot. Bonds11

About 1-(3-morpholin-4-ylpropyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide

1-(3-morpholin-4-ylpropyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide (PubChem CID 111074310) has the molecular formula C19H33IN4O2 and a molecular weight of 476.40 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide
PubChem CID111074310
Molecular FormulaC19H33IN4O2
Molecular Weight476.40 g/mol
Exact Mass476.16
IUPAC Name1-(3-morpholin-4-ylpropyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide
SMILESI.N/C(=N\CCCOCCc1ccccc1)NCCCN1CCOCC1
InChIInChI=1S/C19H32N4O2.HI/c20-19(21-9-4-11-23-12-16-25-17-13-23)22-10-5-14-24-15-8-18-6-2-1-3-7-18;/h1-3,6-7H,4-5,8-17H2,(H3,20,21,22);1H
InChIKeyNQWFRUAAMRNLST-UHFFFAOYSA-N
XLogP1.88
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

2-(3-morpholin-4-ylpropyl)-1-[4-(2-phenylethoxy)butyl]guanidine;hydroiodide
CID 111068945
1-(3-morpholin-4-ylpropyl)-2-[3-(2-phenylmethoxyethoxy)propyl]guanidine;hydroiodide
CID 110018535
2-[3-(4-hydroxyphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111816056
2-(3-benzylsulfonylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 111065206
N'-[3-(2-phenylethoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 56801703
2-[3-(2-methylpropoxy)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111035643
2-[3-(3-bromophenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111807979
1-(2-phenylethyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034753
1-[2-[benzyl(methyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111078725
2-(3-morpholin-4-ylpropyl)-1-[2-(2-phenylphenoxy)ethyl]guanidine;hydroiodide
CID 111084976
1-(3-morpholin-4-ylpropyl)-2-[(3-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111069355
1-[4-(N-methylanilino)butyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111078602

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide (CID 111074310) is 1-(3-morpholin-4-ylpropyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide is I.N/C(=N\CCCOCCc1ccccc1)NCCCN1CCOCC1.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide?
The InChIKey is NQWFRUAAMRNLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2.HI/c20-19(21-9-4-11-23-12-16-25-17-13-23)22-10-5-14-24-15-8-18-6-2-1-3-7-18;/h1-3,6-7H,4-5,8-17H2,(H3,20,21,22);1H.
What are the key properties of 1-(3-morpholin-4-ylpropyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide?
1-(3-morpholin-4-ylpropyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide has a molecular weight of 476.40 g/mol, XLogP of 1.88, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111074310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).