2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-octylguanidine

C20H35N5O — CID 111049276

IUPAC2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-octylguanidine
SMILESCCCCCCCCN/C(N)=N/Cc1ccc(N2CCOC(C)C2)nc1
InChIInChI=1S/C20H35N5O/c1-3-4-5-6-7-8-11-22-20(21)24-15-18-9-10-19(23-14-18)25-12-13-26-17(2)16-25/h9-10,14,17H,3-8,11-13,15-16H2,1-2H3,(H3,21,22,24)
InChIKeyZASWOEUWLSZBPL-UHFFFAOYSA-N
MW361.53 g/mol
LogP3.07
Rot. Bonds10

About 2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-octylguanidine

2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-octylguanidine (PubChem CID 111049276) has the molecular formula C20H35N5O and a molecular weight of 361.53 g/mol. Its IUPAC name is 2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-octylguanidine.

Molecular Properties

Compound Name2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-octylguanidine
PubChem CID111049276
Molecular FormulaC20H35N5O
Molecular Weight361.53 g/mol
Exact Mass361.28
IUPAC Name2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-octylguanidine
SMILESCCCCCCCCN/C(N)=N/Cc1ccc(N2CCOC(C)C2)nc1
InChIInChI=1S/C20H35N5O/c1-3-4-5-6-7-8-11-22-20(21)24-15-18-9-10-19(23-14-18)25-12-13-26-17(2)16-25/h9-10,14,17H,3-8,11-13,15-16H2,1-2H3,(H3,21,22,24)
InChIKeyZASWOEUWLSZBPL-UHFFFAOYSA-N
XLogP3.07
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-butyl-3-ethyl-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111151814
1-hexyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine
CID 111048746
2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111049342
2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111049273
2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide
CID 111049111
1-(3,4-dimethylphenyl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111049280
1-(3,5-dimethylphenyl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111049272
2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-ethyl-3-hexylguanidine
CID 111161765
1-butyl-3-ethyl-1-methyl-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111160063
1-butyl-2-methyl-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111149881
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 110915666
1-ethyl-3-(3-methylbutan-2-yl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111000318

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-octylguanidine?
The IUPAC name of 2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-octylguanidine (CID 111049276) is 2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-octylguanidine.
What is the SMILES notation for 2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-octylguanidine?
The canonical SMILES for 2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-octylguanidine is CCCCCCCCN/C(N)=N/Cc1ccc(N2CCOC(C)C2)nc1.
What is the InChIKey of 2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-octylguanidine?
The InChIKey is ZASWOEUWLSZBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O/c1-3-4-5-6-7-8-11-22-20(21)24-15-18-9-10-19(23-14-18)25-12-13-26-17(2)16-25/h9-10,14,17H,3-8,11-13,15-16H2,1-2H3,(H3,21,22,24).
What are the key properties of 2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-octylguanidine?
2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-octylguanidine has a molecular weight of 361.53 g/mol, XLogP of 3.07, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-octylguanidine is sourced from PubChem (CID 111049276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).