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

C17H37IN6O — CID 111056058

IUPAC2-[2-(4-ethylpiperazin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESCCN1CCN(C(C)C/N=C(\N)NCCCN2CCOCC2)CC1.I
InChIInChI=1S/C17H36N6O.HI/c1-3-21-7-9-23(10-8-21)16(2)15-20-17(18)19-5-4-6-22-11-13-24-14-12-22;/h16H,3-15H2,1-2H3,(H3,18,19,20);1H
InChIKeyAMOYDAABJKUQAI-UHFFFAOYSA-N
MW468.43 g/mol
LogP0.26
Rot. Bonds8

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

2-[2-(4-ethylpiperazin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide (PubChem CID 111056058) has the molecular formula C17H37IN6O and a molecular weight of 468.43 g/mol. Its IUPAC name is 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(4-ethylpiperazin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
PubChem CID111056058
Molecular FormulaC17H37IN6O
Molecular Weight468.43 g/mol
Exact Mass468.21
IUPAC Name2-[2-(4-ethylpiperazin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESCCN1CCN(C(C)C/N=C(\N)NCCCN2CCOCC2)CC1.I
InChIInChI=1S/C17H36N6O.HI/c1-3-21-7-9-23(10-8-21)16(2)15-20-17(18)19-5-4-6-22-11-13-24-14-12-22;/h16H,3-15H2,1-2H3,(H3,18,19,20);1H
InChIKeyAMOYDAABJKUQAI-UHFFFAOYSA-N
XLogP0.26
TPSA69.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.43
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-morpholin-4-ylpropyl)-2-[2-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111061757
2-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111041688
2-(3-ethyl-2-pyrrolidin-1-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 111042205
2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111055046
2-(4-methyl-2-pyrrolidin-1-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 111042263
1-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111055251
2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide
CID 110927121
2-[2-(N-methylanilino)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056428
1-(3-morpholin-4-ylpropyl)-2-(2,2,4-trimethylpentyl)guanidine;hydroiodide
CID 111911375
1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide
CID 111059844
2-[4-(dimethylamino)-2-ethoxybutyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111975360
2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111067792

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide (CID 111056058) is 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide is CCN1CCN(C(C)C/N=C(\N)NCCCN2CCOCC2)CC1.I.
What is the InChIKey of 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The InChIKey is AMOYDAABJKUQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N6O.HI/c1-3-21-7-9-23(10-8-21)16(2)15-20-17(18)19-5-4-6-22-11-13-24-14-12-22;/h16H,3-15H2,1-2H3,(H3,18,19,20);1H.
What are the key properties of 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
2-[2-(4-ethylpiperazin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide has a molecular weight of 468.43 g/mol, XLogP of 0.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111056058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).