2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide

C14H24IN5O — CID 119120862

IUPAC2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide
SMILESCC1(C)CN(CC/N=C(\N)Nc2ccccn2)CCO1.I
InChIInChI=1S/C14H23N5O.HI/c1-14(2)11-19(9-10-20-14)8-7-17-13(15)18-12-5-3-4-6-16-12;/h3-6H,7-11H2,1-2H3,(H3,15,16,17,18);1H
InChIKeyAXYCRWWKJBPQAZ-UHFFFAOYSA-N
MW405.28 g/mol
LogP1.54
Rot. Bonds4

About 2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide

2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide (PubChem CID 119120862) has the molecular formula C14H24IN5O and a molecular weight of 405.28 g/mol. Its IUPAC name is 2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide
PubChem CID119120862
Molecular FormulaC14H24IN5O
Molecular Weight405.28 g/mol
Exact Mass405.10
IUPAC Name2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide
SMILESCC1(C)CN(CC/N=C(\N)Nc2ccccn2)CCO1.I
InChIInChI=1S/C14H23N5O.HI/c1-14(2)11-19(9-10-20-14)8-7-17-13(15)18-12-5-3-4-6-16-12;/h3-6H,7-11H2,1-2H3,(H3,15,16,17,18);1H
InChIKeyAXYCRWWKJBPQAZ-UHFFFAOYSA-N
XLogP1.54
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.28
LogP ≤ 51.54
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-(2-morpholin-4-ylethyl)-1-pyridin-2-ylguanidine;hydroiodide
CID 119117134
2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120662941
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide
CID 119140967
2-[2-(1-methylpyrazol-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119119227
2-[(1-morpholin-4-ylcyclopropyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120558132
2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-pyridin-2-ylguanidine
CID 119121081
2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-prop-2-enylguanidine
CID 137136827
2-[(4-benzylmorpholin-2-yl)methyl]-1-pyridin-2-ylguanidine
CID 119117265
2-[(1-hydroxycyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119146788
2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119117281
2-(2-morpholin-4-ylethyl)-1-phenylguanidine
CID 62364486
2-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120605860

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide (CID 119120862) is 2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide is CC1(C)CN(CC/N=C(\N)Nc2ccccn2)CCO1.I.
What is the InChIKey of 2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide?
The InChIKey is AXYCRWWKJBPQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O.HI/c1-14(2)11-19(9-10-20-14)8-7-17-13(15)18-12-5-3-4-6-16-12;/h3-6H,7-11H2,1-2H3,(H3,15,16,17,18);1H.
What are the key properties of 2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide?
2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide has a molecular weight of 405.28 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide is sourced from PubChem (CID 119120862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).