1-(5-methoxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine

C15H26N4O — CID 111191752

IUPAC1-(5-methoxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
SMILESC/N=C(\NCCCCCOC)NCCc1ccccn1
InChIInChI=1S/C15H26N4O/c1-16-15(18-11-5-3-7-13-20-2)19-12-9-14-8-4-6-10-17-14/h4,6,8,10H,3,5,7,9,11-13H2,1-2H3,(H2,16,18,19)
InChIKeyAJOMUADULHOBLC-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.61
Rot. Bonds9

About 1-(5-methoxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine

1-(5-methoxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111191752) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(5-methoxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-(5-methoxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
PubChem CID111191752
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-(5-methoxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
SMILESC/N=C(\NCCCCCOC)NCCc1ccccn1
InChIInChI=1S/C15H26N4O/c1-16-15(18-11-5-3-7-13-20-2)19-12-9-14-8-4-6-10-17-14/h4,6,8,10H,3,5,7,9,11-13H2,1-2H3,(H2,16,18,19)
InChIKeyAJOMUADULHOBLC-UHFFFAOYSA-N
XLogP1.61
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-methoxyethoxy)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194663
1-(5-cyclohexyloxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111762409
1-(3-methoxypropyl)-2-methyl-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 110973099
1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111499327
2-methyl-1-(5-piperidin-1-ylpentyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111782050
1-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194469
1-[2-(4-butoxyphenyl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111193974
1-ethyl-3-(5-methoxypentyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110968659
1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111191122
2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111192140
1-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111192266
1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111193839

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-(5-methoxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine (CID 111191752) is 1-(5-methoxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-(5-methoxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-(5-methoxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine is C/N=C(\NCCCCCOC)NCCc1ccccn1.
What is the InChIKey of 1-(5-methoxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is AJOMUADULHOBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-16-15(18-11-5-3-7-13-20-2)19-12-9-14-8-4-6-10-17-14/h4,6,8,10H,3,5,7,9,11-13H2,1-2H3,(H2,16,18,19).
What are the key properties of 1-(5-methoxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine?
1-(5-methoxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 278.40 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111191752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).