2-hexyl-1-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide

C15H27IN4 — CID 109394584

IUPAC2-hexyl-1-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide
SMILESCCCCCC/N=C(\N)NCCc1ccncc1C.I
InChIInChI=1S/C15H26N4.HI/c1-3-4-5-6-9-18-15(16)19-11-8-14-7-10-17-12-13(14)2;/h7,10,12H,3-6,8-9,11H2,1-2H3,(H3,16,18,19);1H
InChIKeyLCRIVYVJIGIUPK-UHFFFAOYSA-N
MW390.31 g/mol
LogP3.04
Rot. Bonds8

About 2-hexyl-1-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide

2-hexyl-1-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide (PubChem CID 109394584) has the molecular formula C15H27IN4 and a molecular weight of 390.31 g/mol. Its IUPAC name is 2-hexyl-1-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-hexyl-1-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide
PubChem CID109394584
Molecular FormulaC15H27IN4
Molecular Weight390.31 g/mol
Exact Mass390.13
IUPAC Name2-hexyl-1-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide
SMILESCCCCCC/N=C(\N)NCCc1ccncc1C.I
InChIInChI=1S/C15H26N4.HI/c1-3-4-5-6-9-18-15(16)19-11-8-14-7-10-17-12-13(14)2;/h7,10,12H,3-6,8-9,11H2,1-2H3,(H3,16,18,19);1H
InChIKeyLCRIVYVJIGIUPK-UHFFFAOYSA-N
XLogP3.04
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024681
4-heptyl-3-methylpyridine
CID 143666243
2-hexyl-1-(2-pyridin-2-ylethyl)guanidine
CID 111023818
2-hexyl-1-(2-phenylethyl)guanidine
CID 111022881
2-octyl-1-(2-phenylethyl)guanidine
CID 10903026
2-hexyl-1-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111066864
1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-octylguanidine;hydroiodide
CID 111041287
1-[2-(2,6-difluorophenyl)ethyl]-2-hexylguanidine
CID 111060701
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-octylguanidine;hydroiodide
CID 111091189
2-pentyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111022609
2-octyl-1-[2-(4-sulfamoylphenyl)ethyl]guanidine;hydroiodide
CID 111024272
2-(3-cyclopentylpropyl)-1-ethyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109407164

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-1-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide?
The IUPAC name of 2-hexyl-1-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide (CID 109394584) is 2-hexyl-1-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-hexyl-1-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-hexyl-1-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide is CCCCCC/N=C(\N)NCCc1ccncc1C.I.
What is the InChIKey of 2-hexyl-1-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide?
The InChIKey is LCRIVYVJIGIUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4.HI/c1-3-4-5-6-9-18-15(16)19-11-8-14-7-10-17-12-13(14)2;/h7,10,12H,3-6,8-9,11H2,1-2H3,(H3,16,18,19);1H.
What are the key properties of 2-hexyl-1-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide?
2-hexyl-1-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide has a molecular weight of 390.31 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-1-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 109394584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).