2-hexyl-1-(2-pyridin-2-ylethyl)guanidine

C14H24N4 — CID 111023818

IUPAC2-hexyl-1-(2-pyridin-2-ylethyl)guanidine
SMILESCCCCCC/N=C(\N)NCCc1ccccn1
InChIInChI=1S/C14H24N4/c1-2-3-4-6-11-17-14(15)18-12-9-13-8-5-7-10-16-13/h5,7-8,10H,2-4,6,9,11-12H2,1H3,(H3,15,17,18)
InChIKeyBWFKCXIPYZYJKX-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.11
Rot. Bonds8

About 2-hexyl-1-(2-pyridin-2-ylethyl)guanidine

2-hexyl-1-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111023818) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-hexyl-1-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-hexyl-1-(2-pyridin-2-ylethyl)guanidine
PubChem CID111023818
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-hexyl-1-(2-pyridin-2-ylethyl)guanidine
SMILESCCCCCC/N=C(\N)NCCc1ccccn1
InChIInChI=1S/C14H24N4/c1-2-3-4-6-11-17-14(15)18-12-9-13-8-5-7-10-16-13/h5,7-8,10H,2-4,6,9,11-12H2,1H3,(H3,15,17,18)
InChIKeyBWFKCXIPYZYJKX-UHFFFAOYSA-N
XLogP2.11
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.11
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

2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024681
2-[3-(dipropylamino)propyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111077449
2-(3-methylsulfanylpropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111769363
2-(2-methylnonyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111076559
2-(4,4-dimethylpentyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111637947
2-(3-phenoxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111036934
2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111066396
2-octyl-1-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111097167
2-octyl-1-(2-phenylethyl)guanidine
CID 10903026
2-hexyl-1-(2-phenylethyl)guanidine
CID 111022881
1-butyl-2-(pyridin-2-ylmethyl)guanidine
CID 111023231
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide
CID 111032170

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-1-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 2-hexyl-1-(2-pyridin-2-ylethyl)guanidine (CID 111023818) is 2-hexyl-1-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 2-hexyl-1-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 2-hexyl-1-(2-pyridin-2-ylethyl)guanidine is CCCCCC/N=C(\N)NCCc1ccccn1.
What is the InChIKey of 2-hexyl-1-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is BWFKCXIPYZYJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-2-3-4-6-11-17-14(15)18-12-9-13-8-5-7-10-16-13/h5,7-8,10H,2-4,6,9,11-12H2,1H3,(H3,15,17,18).
What are the key properties of 2-hexyl-1-(2-pyridin-2-ylethyl)guanidine?
2-hexyl-1-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 248.37 g/mol, XLogP of 2.11, 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-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111023818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).