2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-methylpropyl)guanidine;hydroiodide

C16H28IN5O — CID 111049273

IUPAC2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-methylpropyl)guanidine;hydroiodide
SMILESCC(C)CN/C(N)=N/Cc1ccc(N2CCOC(C)C2)nc1.I
InChIInChI=1S/C16H27N5O.HI/c1-12(2)8-19-16(17)20-10-14-4-5-15(18-9-14)21-6-7-22-13(3)11-21;/h4-5,9,12-13H,6-8,10-11H2,1-3H3,(H3,17,19,20);1H
InChIKeyCCTQELPBPQXKDF-UHFFFAOYSA-N
MW433.34 g/mol
LogP1.99
Rot. Bonds5

About 2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-methylpropyl)guanidine;hydroiodide

2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-methylpropyl)guanidine;hydroiodide (PubChem CID 111049273) has the molecular formula C16H28IN5O and a molecular weight of 433.34 g/mol. Its IUPAC name is 2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-methylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-methylpropyl)guanidine;hydroiodide
PubChem CID111049273
Molecular FormulaC16H28IN5O
Molecular Weight433.34 g/mol
Exact Mass433.13
IUPAC Name2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-methylpropyl)guanidine;hydroiodide
SMILESCC(C)CN/C(N)=N/Cc1ccc(N2CCOC(C)C2)nc1.I
InChIInChI=1S/C16H27N5O.HI/c1-12(2)8-19-16(17)20-10-14-4-5-15(18-9-14)21-6-7-22-13(3)11-21;/h4-5,9,12-13H,6-8,10-11H2,1-3H3,(H3,17,19,20);1H
InChIKeyCCTQELPBPQXKDF-UHFFFAOYSA-N
XLogP1.99
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[[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-octylguanidine
CID 111049276
1-ethyl-3-(3-methylbutyl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 110977000
1-(3,5-dimethylphenyl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111049272
1-ethyl-3-(3-methylbutan-2-yl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111000318
2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111049255
1-(3,4-dimethylphenyl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111049280
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 110915666
1-(2,3-dihydro-1H-inden-5-yl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111049317
2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111049301
1-ethyl-3-[2-(2-hydroxyethyl)pentyl]-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111712912
1-ethyl-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111401948

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-methylpropyl)guanidine;hydroiodide?
The IUPAC name of 2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-methylpropyl)guanidine;hydroiodide (CID 111049273) is 2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-methylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-methylpropyl)guanidine;hydroiodide?
The canonical SMILES for 2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-methylpropyl)guanidine;hydroiodide is CC(C)CN/C(N)=N/Cc1ccc(N2CCOC(C)C2)nc1.I.
What is the InChIKey of 2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-methylpropyl)guanidine;hydroiodide?
The InChIKey is CCTQELPBPQXKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O.HI/c1-12(2)8-19-16(17)20-10-14-4-5-15(18-9-14)21-6-7-22-13(3)11-21;/h4-5,9,12-13H,6-8,10-11H2,1-3H3,(H3,17,19,20);1H.
What are the key properties of 2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-methylpropyl)guanidine;hydroiodide?
2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-methylpropyl)guanidine;hydroiodide has a molecular weight of 433.34 g/mol, XLogP of 1.99, 5 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-(2-methylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111049273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).