1-octyl-2-(pyridin-3-ylmethyl)guanidine

C15H26N4 — CID 111023328

IUPAC1-octyl-2-(pyridin-3-ylmethyl)guanidine
SMILESCCCCCCCCN/C(N)=N/Cc1cccnc1
InChIInChI=1S/C15H26N4/c1-2-3-4-5-6-7-11-18-15(16)19-13-14-9-8-10-17-12-14/h8-10,12H,2-7,11,13H2,1H3,(H3,16,18,19)
InChIKeyIIWZNGBGOBDAIO-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.85
Rot. Bonds9

About 1-octyl-2-(pyridin-3-ylmethyl)guanidine

1-octyl-2-(pyridin-3-ylmethyl)guanidine (PubChem CID 111023328) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-octyl-2-(pyridin-3-ylmethyl)guanidine.

Molecular Properties

Compound Name1-octyl-2-(pyridin-3-ylmethyl)guanidine
PubChem CID111023328
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-octyl-2-(pyridin-3-ylmethyl)guanidine
SMILESCCCCCCCCN/C(N)=N/Cc1cccnc1
InChIInChI=1S/C15H26N4/c1-2-3-4-5-6-7-11-18-15(16)19-13-14-9-8-10-17-12-14/h8-10,12H,2-7,11,13H2,1H3,(H3,16,18,19)
InChIKeyIIWZNGBGOBDAIO-UHFFFAOYSA-N
XLogP2.85
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.85
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'}

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Related Compounds

1-(3-methylbutyl)-2-(pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111023317
1-(2-methylpropyl)-2-(pyridin-3-ylmethyl)guanidine
CID 62361961
2-[(6-methoxy-3-pyridinyl)methyl]-1-octylguanidine
CID 111038712
2-benzyl-1-[8-[(N'-benzylcarbamimidoyl)amino]octyl]guanidine
CID 155530379
2-benzyl-1-[6-[(N'-benzylcarbamimidoyl)amino]hexyl]guanidine
CID 12991061
2-[(3-cyanophenyl)methyl]-1-hexylguanidine
CID 111052214
1-hexyl-2-[[4-(imidazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111064081
1-hexyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111815931
2-[[4-(dimethylamino)phenyl]methyl]-1-hexylguanidine
CID 111033144
1-[(3,4-dimethoxyphenyl)methyl]-2-(pyridin-3-ylmethyl)guanidine
CID 111023378
N'-(pyridin-3-ylmethyl)propanimidamide
CID 63178456
1-hexyl-2-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]guanidine
CID 111052907

Frequently Asked Questions

What is the IUPAC name of 1-octyl-2-(pyridin-3-ylmethyl)guanidine?
The IUPAC name of 1-octyl-2-(pyridin-3-ylmethyl)guanidine (CID 111023328) is 1-octyl-2-(pyridin-3-ylmethyl)guanidine.
What is the SMILES notation for 1-octyl-2-(pyridin-3-ylmethyl)guanidine?
The canonical SMILES for 1-octyl-2-(pyridin-3-ylmethyl)guanidine is CCCCCCCCN/C(N)=N/Cc1cccnc1.
What is the InChIKey of 1-octyl-2-(pyridin-3-ylmethyl)guanidine?
The InChIKey is IIWZNGBGOBDAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-2-3-4-5-6-7-11-18-15(16)19-13-14-9-8-10-17-12-14/h8-10,12H,2-7,11,13H2,1H3,(H3,16,18,19).
What are the key properties of 1-octyl-2-(pyridin-3-ylmethyl)guanidine?
1-octyl-2-(pyridin-3-ylmethyl)guanidine has a molecular weight of 262.40 g/mol, XLogP of 2.85, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octyl-2-(pyridin-3-ylmethyl)guanidine is sourced from PubChem (CID 111023328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).