N'-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide

C17H25IN4O — CID 120661423

IUPACN'-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
SMILESCc1[nH]c2ccc(C/N=C(\N)N3CCOC(C)C3)cc2c1C.I
InChIInChI=1S/C17H24N4O.HI/c1-11-10-21(6-7-22-11)17(18)19-9-14-4-5-16-15(8-14)12(2)13(3)20-16;/h4-5,8,11,20H,6-7,9-10H2,1-3H3,(H2,18,19);1H
InChIKeyFQNQWWYRPANKRL-UHFFFAOYSA-N
MW428.32 g/mol
LogP2.94
Rot. Bonds2

About N'-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide

N'-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide (PubChem CID 120661423) has the molecular formula C17H25IN4O and a molecular weight of 428.32 g/mol. Its IUPAC name is N'-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
PubChem CID120661423
Molecular FormulaC17H25IN4O
Molecular Weight428.32 g/mol
Exact Mass428.11
IUPAC NameN'-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
SMILESCc1[nH]c2ccc(C/N=C(\N)N3CCOC(C)C3)cc2c1C.I
InChIInChI=1S/C17H24N4O.HI/c1-11-10-21(6-7-22-11)17(18)19-9-14-4-5-16-15(8-14)12(2)13(3)20-16;/h4-5,8,11,20H,6-7,9-10H2,1-3H3,(H2,18,19);1H
InChIKeyFQNQWWYRPANKRL-UHFFFAOYSA-N
XLogP2.94
TPSA66.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.32
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'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-methyl-N'-[(5-methylsulfonylthiophen-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120662205
N'-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120822845
2-methyl-N'-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661263
2-methyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661149
N'-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylmorpholine-4-carboximidamide
CID 120662286
N'-[(3-bromothiophen-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661477
2-methyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]morpholine-4-carboximidamide
CID 120661374
N'-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111082850
N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide
CID 120661286
N'-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661827
2-methyl-N'-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661795
2-methyl-N'-[2-(2-methylphenyl)ethyl]morpholine-4-carboximidamide
CID 166222802

Frequently Asked Questions

What is the IUPAC name of N'-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide (CID 120661423) is N'-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide is Cc1[nH]c2ccc(C/N=C(\N)N3CCOC(C)C3)cc2c1C.I.
What is the InChIKey of N'-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
The InChIKey is FQNQWWYRPANKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.HI/c1-11-10-21(6-7-22-11)17(18)19-9-14-4-5-16-15(8-14)12(2)13(3)20-16;/h4-5,8,11,20H,6-7,9-10H2,1-3H3,(H2,18,19);1H.
What are the key properties of N'-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
N'-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide has a molecular weight of 428.32 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120661423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).