2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide

C17H30IN5O2 — CID 111049165

IUPAC2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
SMILESCOCC(C)N/C(N)=N/Cc1ccc(N2CC(C)OC(C)C2)nc1.I
InChIInChI=1S/C17H29N5O2.HI/c1-12(11-23-4)21-17(18)20-8-15-5-6-16(19-7-15)22-9-13(2)24-14(3)10-22;/h5-7,12-14H,8-11H2,1-4H3,(H3,18,20,21);1H
InChIKeySTCWKETZSNUCGT-UHFFFAOYSA-N
MW463.36 g/mol
LogP1.75
Rot. Bonds6

About 2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide

2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide (PubChem CID 111049165) has the molecular formula C17H30IN5O2 and a molecular weight of 463.36 g/mol. Its IUPAC name is 2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
PubChem CID111049165
Molecular FormulaC17H30IN5O2
Molecular Weight463.36 g/mol
Exact Mass463.14
IUPAC Name2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
SMILESCOCC(C)N/C(N)=N/Cc1ccc(N2CC(C)OC(C)C2)nc1.I
InChIInChI=1S/C17H29N5O2.HI/c1-12(11-23-4)21-17(18)20-8-15-5-6-16(19-7-15)22-9-13(2)24-14(3)10-22;/h5-7,12-14H,8-11H2,1-4H3,(H3,18,20,21);1H
InChIKeySTCWKETZSNUCGT-UHFFFAOYSA-N
XLogP1.75
TPSA85.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.36
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(6-methylheptan-2-yl)guanidine
CID 111049126
1-(1-methoxypropan-2-yl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111048901
2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide
CID 111049111
1-tert-butyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 119118388
1-cyclohexyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111049108
2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111049158
1-(1-methoxypropan-2-yl)-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
CID 111052869
1-(2,6-diethylphenyl)-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111049127
1-(1-methoxypropan-2-yl)-2-[(6-methoxy-3-pyridinyl)methyl]guanidine
CID 111038786
1-(1-methoxypropan-2-yl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111804468
2-[[4-(methoxymethyl)phenyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111053894
2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide
CID 111895790

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The IUPAC name of 2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide (CID 111049165) is 2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide.
What is the SMILES notation for 2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The canonical SMILES for 2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide is COCC(C)N/C(N)=N/Cc1ccc(N2CC(C)OC(C)C2)nc1.I.
What is the InChIKey of 2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The InChIKey is STCWKETZSNUCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2.HI/c1-12(11-23-4)21-17(18)20-8-15-5-6-16(19-7-15)22-9-13(2)24-14(3)10-22;/h5-7,12-14H,8-11H2,1-4H3,(H3,18,20,21);1H.
What are the key properties of 2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide has a molecular weight of 463.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide is sourced from PubChem (CID 111049165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).