2-(3-morpholin-4-ylpropyl)-1-(2-phenylcyclopropyl)guanidine;hydroiodide

C17H27IN4O — CID 111046104

IUPAC2-(3-morpholin-4-ylpropyl)-1-(2-phenylcyclopropyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCCN1CCOCC1)NC1CC1c1ccccc1
InChIInChI=1S/C17H26N4O.HI/c18-17(19-7-4-8-21-9-11-22-12-10-21)20-16-13-15(16)14-5-2-1-3-6-14;/h1-3,5-6,15-16H,4,7-13H2,(H3,18,19,20);1H
InChIKeyWODJOAMRPCSTMU-UHFFFAOYSA-N
MW430.33 g/mol
LogP1.79
Rot. Bonds6

About 2-(3-morpholin-4-ylpropyl)-1-(2-phenylcyclopropyl)guanidine;hydroiodide

2-(3-morpholin-4-ylpropyl)-1-(2-phenylcyclopropyl)guanidine;hydroiodide (PubChem CID 111046104) has the molecular formula C17H27IN4O and a molecular weight of 430.33 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropyl)-1-(2-phenylcyclopropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropyl)-1-(2-phenylcyclopropyl)guanidine;hydroiodide
PubChem CID111046104
Molecular FormulaC17H27IN4O
Molecular Weight430.33 g/mol
Exact Mass430.12
IUPAC Name2-(3-morpholin-4-ylpropyl)-1-(2-phenylcyclopropyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCCN1CCOCC1)NC1CC1c1ccccc1
InChIInChI=1S/C17H26N4O.HI/c18-17(19-7-4-8-21-9-11-22-12-10-21)20-16-13-15(16)14-5-2-1-3-6-14;/h1-3,5-6,15-16H,4,7-13H2,(H3,18,19,20);1H
InChIKeyWODJOAMRPCSTMU-UHFFFAOYSA-N
XLogP1.79
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-[2-(4-bromophenyl)cyclopropyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111096214
2-(3-morpholin-4-ylpropyl)-1-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]guanidine;hydroiodide
CID 111819277
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111818745
1-(3-morpholin-4-ylpropyl)-2-[(2-phenylcyclopropyl)methyl]guanidine
CID 111558587
2-(3-ethoxypropyl)-1-(2-phenylcyclopropyl)guanidine
CID 111046101
2-(2-methylpropyl)-1-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 110912321
2-(2-morpholin-4-ylethyl)-1-phenylguanidine
CID 62364486
1-cyclohexyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111059840
2-(3-morpholin-4-ylpropyl)-1-[2-(2-phenylphenoxy)ethyl]guanidine;hydroiodide
CID 111084976
1-[4-(N-methylanilino)butyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111078602
2-(3-morpholin-4-ylpropyl)-1-[4-(2-phenylethoxy)butyl]guanidine;hydroiodide
CID 111068945
1-(3-morpholin-4-ylpropyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide
CID 111074310

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropyl)-1-(2-phenylcyclopropyl)guanidine;hydroiodide?
The IUPAC name of 2-(3-morpholin-4-ylpropyl)-1-(2-phenylcyclopropyl)guanidine;hydroiodide (CID 111046104) is 2-(3-morpholin-4-ylpropyl)-1-(2-phenylcyclopropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(3-morpholin-4-ylpropyl)-1-(2-phenylcyclopropyl)guanidine;hydroiodide?
The canonical SMILES for 2-(3-morpholin-4-ylpropyl)-1-(2-phenylcyclopropyl)guanidine;hydroiodide is I.N/C(=N\CCCN1CCOCC1)NC1CC1c1ccccc1.
What is the InChIKey of 2-(3-morpholin-4-ylpropyl)-1-(2-phenylcyclopropyl)guanidine;hydroiodide?
The InChIKey is WODJOAMRPCSTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O.HI/c18-17(19-7-4-8-21-9-11-22-12-10-21)20-16-13-15(16)14-5-2-1-3-6-14;/h1-3,5-6,15-16H,4,7-13H2,(H3,18,19,20);1H.
What are the key properties of 2-(3-morpholin-4-ylpropyl)-1-(2-phenylcyclopropyl)guanidine;hydroiodide?
2-(3-morpholin-4-ylpropyl)-1-(2-phenylcyclopropyl)guanidine;hydroiodide has a molecular weight of 430.33 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropyl)-1-(2-phenylcyclopropyl)guanidine;hydroiodide is sourced from PubChem (CID 111046104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).