methyl 6-[[C-(2,6-dimethylmorpholin-4-yl)-N-methylcarbonimidoyl]amino]hexanoate;hydroiodide

C15H30IN3O3 — CID 75532609

IUPACmethyl 6-[[C-(2,6-dimethylmorpholin-4-yl)-N-methylcarbonimidoyl]amino]hexanoate;hydroiodide
SMILESC/N=C(\NCCCCCC(=O)OC)N1CC(C)OC(C)C1.I
InChIInChI=1S/C15H29N3O3.HI/c1-12-10-18(11-13(2)21-12)15(16-3)17-9-7-5-6-8-14(19)20-4;/h12-13H,5-11H2,1-4H3,(H,16,17);1H
InChIKeyBEYWZYFFCLTYIQ-UHFFFAOYSA-N
MW427.33 g/mol
LogP2.02
Rot. Bonds6

About methyl 6-[[C-(2,6-dimethylmorpholin-4-yl)-N-methylcarbonimidoyl]amino]hexanoate;hydroiodide

methyl 6-[[C-(2,6-dimethylmorpholin-4-yl)-N-methylcarbonimidoyl]amino]hexanoate;hydroiodide (PubChem CID 75532609) has the molecular formula C15H30IN3O3 and a molecular weight of 427.33 g/mol. Its IUPAC name is methyl 6-[[C-(2,6-dimethylmorpholin-4-yl)-N-methylcarbonimidoyl]amino]hexanoate;hydroiodide.

Molecular Properties

Compound Namemethyl 6-[[C-(2,6-dimethylmorpholin-4-yl)-N-methylcarbonimidoyl]amino]hexanoate;hydroiodide
PubChem CID75532609
Molecular FormulaC15H30IN3O3
Molecular Weight427.33 g/mol
Exact Mass427.13
IUPAC Namemethyl 6-[[C-(2,6-dimethylmorpholin-4-yl)-N-methylcarbonimidoyl]amino]hexanoate;hydroiodide
SMILESC/N=C(\NCCCCCC(=O)OC)N1CC(C)OC(C)C1.I
InChIInChI=1S/C15H29N3O3.HI/c1-12-10-18(11-13(2)21-12)15(16-3)17-9-7-5-6-8-14(19)20-4;/h12-13H,5-11H2,1-4H3,(H,16,17);1H
InChIKeyBEYWZYFFCLTYIQ-UHFFFAOYSA-N
XLogP2.02
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze methyl 6-[[C-(2,6-dimethylmorpholin-4-yl)-N-methylcarbonimidoyl]amino]hexanoate;hydroiodide with MolForge

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Related Compounds

methyl 5-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]pentanoate
CID 111960285
methyl 6-[[C-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]hexanoate;hydroiodide
CID 111748337
methyl 6-[[N-methyl-C-(3-phenylpyrrolidin-1-yl)carbonimidoyl]amino]hexanoate;hydroiodide
CID 111722696
methyl 6-[[C-(3-benzylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]hexanoate;hydroiodide
CID 111724452
methyl 7-[[N-methyl-C-(4-pyrimidin-2-ylpiperazin-1-yl)carbonimidoyl]amino]heptanoate;hydroiodide
CID 111205803
methyl 5-[[C-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]pentanoate;hydroiodide
CID 111732242
methyl 5-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]pentanoate;hydroiodide
CID 109377152
methyl 5-[[C-(2,2-dimethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]pentanoate
CID 109488945
methyl 5-[[C-(4-benzylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]pentanoate;hydroiodide
CID 110959728
methyl 3-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]propanoate
CID 111145348
ethyl 1-[N-(7-ethoxy-7-oxoheptyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111157486
methyl 5-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]pentanoate
CID 109377153

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[C-(2,6-dimethylmorpholin-4-yl)-N-methylcarbonimidoyl]amino]hexanoate;hydroiodide?
The IUPAC name of methyl 6-[[C-(2,6-dimethylmorpholin-4-yl)-N-methylcarbonimidoyl]amino]hexanoate;hydroiodide (CID 75532609) is methyl 6-[[C-(2,6-dimethylmorpholin-4-yl)-N-methylcarbonimidoyl]amino]hexanoate;hydroiodide.
What is the SMILES notation for methyl 6-[[C-(2,6-dimethylmorpholin-4-yl)-N-methylcarbonimidoyl]amino]hexanoate;hydroiodide?
The canonical SMILES for methyl 6-[[C-(2,6-dimethylmorpholin-4-yl)-N-methylcarbonimidoyl]amino]hexanoate;hydroiodide is C/N=C(\NCCCCCC(=O)OC)N1CC(C)OC(C)C1.I.
What is the InChIKey of methyl 6-[[C-(2,6-dimethylmorpholin-4-yl)-N-methylcarbonimidoyl]amino]hexanoate;hydroiodide?
The InChIKey is BEYWZYFFCLTYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3.HI/c1-12-10-18(11-13(2)21-12)15(16-3)17-9-7-5-6-8-14(19)20-4;/h12-13H,5-11H2,1-4H3,(H,16,17);1H.
What are the key properties of methyl 6-[[C-(2,6-dimethylmorpholin-4-yl)-N-methylcarbonimidoyl]amino]hexanoate;hydroiodide?
methyl 6-[[C-(2,6-dimethylmorpholin-4-yl)-N-methylcarbonimidoyl]amino]hexanoate;hydroiodide has a molecular weight of 427.33 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[C-(2,6-dimethylmorpholin-4-yl)-N-methylcarbonimidoyl]amino]hexanoate;hydroiodide is sourced from PubChem (CID 75532609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).