2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide

C16H29IN4 — CID 111024681

IUPAC2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCCCCCCCC/N=C(\N)NCCc1ccccn1.I
InChIInChI=1S/C16H28N4.HI/c1-2-3-4-5-6-8-13-19-16(17)20-14-11-15-10-7-9-12-18-15;/h7,9-10,12H,2-6,8,11,13-14H2,1H3,(H3,17,19,20);1H
InChIKeyGNMZGFWZMBZIKA-UHFFFAOYSA-N
MW404.34 g/mol
LogP3.51
Rot. Bonds10

About 2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide

2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide (PubChem CID 111024681) has the molecular formula C16H29IN4 and a molecular weight of 404.34 g/mol. Its IUPAC name is 2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
PubChem CID111024681
Molecular FormulaC16H29IN4
Molecular Weight404.34 g/mol
Exact Mass404.14
IUPAC Name2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCCCCCCCC/N=C(\N)NCCc1ccccn1.I
InChIInChI=1S/C16H28N4.HI/c1-2-3-4-5-6-8-13-19-16(17)20-14-11-15-10-7-9-12-18-15;/h7,9-10,12H,2-6,8,11,13-14H2,1H3,(H3,17,19,20);1H
InChIKeyGNMZGFWZMBZIKA-UHFFFAOYSA-N
XLogP3.51
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.34
LogP ≤ 53.51
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-hexyl-1-(2-pyridin-2-ylethyl)guanidine
CID 111023818
2-[3-(dipropylamino)propyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111077449
2-(4,4-dimethylpentyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111637947
2-(2-methylnonyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111076559
2-(3-methylsulfanylpropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111769363
2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111066396
2-(3-phenoxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111036934
1-butyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111023230
2-octyl-1-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111097167
2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111098814
2-octyl-1-(2-phenylethyl)guanidine
CID 10903026
2-hexyl-1-(2-phenylethyl)guanidine
CID 111022881

Frequently Asked Questions

What is the IUPAC name of 2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide (CID 111024681) is 2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide is CCCCCCCC/N=C(\N)NCCc1ccccn1.I.
What is the InChIKey of 2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The InChIKey is GNMZGFWZMBZIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4.HI/c1-2-3-4-5-6-8-13-19-16(17)20-14-11-15-10-7-9-12-18-15;/h7,9-10,12H,2-6,8,11,13-14H2,1H3,(H3,17,19,20);1H.
What are the key properties of 2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide has a molecular weight of 404.34 g/mol, XLogP of 3.51, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111024681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).