2-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide

C17H30IN5O — CID 111040718

IUPAC2-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCC1CN(CCC/N=C(\N)NCCc2ccccn2)CC(C)O1.I
InChIInChI=1S/C17H29N5O.HI/c1-14-12-22(13-15(2)23-14)11-5-9-20-17(18)21-10-7-16-6-3-4-8-19-16;/h3-4,6,8,14-15H,5,7,9-13H2,1-2H3,(H3,18,20,21);1H
InChIKeyONGGVPCUVPCKPW-UHFFFAOYSA-N
MW447.37 g/mol
LogP1.65
Rot. Bonds7

About 2-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide

2-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide (PubChem CID 111040718) has the molecular formula C17H30IN5O and a molecular weight of 447.37 g/mol. Its IUPAC name is 2-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
PubChem CID111040718
Molecular FormulaC17H30IN5O
Molecular Weight447.37 g/mol
Exact Mass447.15
IUPAC Name2-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCC1CN(CCC/N=C(\N)NCCc2ccccn2)CC(C)O1.I
InChIInChI=1S/C17H29N5O.HI/c1-14-12-22(13-15(2)23-14)11-5-9-20-17(18)21-10-7-16-6-3-4-8-19-16;/h3-4,6,8,14-15H,5,7,9-13H2,1-2H3,(H3,18,20,21);1H
InChIKeyONGGVPCUVPCKPW-UHFFFAOYSA-N
XLogP1.65
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.37
LogP ≤ 51.65
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-(3-methylpiperidin-1-yl)propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111056945
2-(4-morpholin-4-ylbutyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111059887
1-(2-pyridin-2-ylethyl)-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111043415
2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024681
2-(4,4-dimethylpentyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111637947
2-hexyl-1-(2-pyridin-2-ylethyl)guanidine
CID 111023818
2-[4-(4-phenylpiperazin-1-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111061951
2-(3-methylsulfanylpropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111769363
1-(2-pyridin-2-ylethyl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 111062124
2-(3-indol-1-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111030155
2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111026298
N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752286

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide (CID 111040718) is 2-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide is CC1CN(CCC/N=C(\N)NCCc2ccccn2)CC(C)O1.I.
What is the InChIKey of 2-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The InChIKey is ONGGVPCUVPCKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O.HI/c1-14-12-22(13-15(2)23-14)11-5-9-20-17(18)21-10-7-16-6-3-4-8-19-16;/h3-4,6,8,14-15H,5,7,9-13H2,1-2H3,(H3,18,20,21);1H.
What are the key properties of 2-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
2-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide has a molecular weight of 447.37 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111040718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).