1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide

C14H31IN4O2 — CID 110942539

IUPAC1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCCCN1CC(C)OC(C)C1)NCCOC.I
InChIInChI=1S/C14H30N4O2.HI/c1-12-10-18(11-13(2)20-12)8-5-6-16-14(15-3)17-7-9-19-4;/h12-13H,5-11H2,1-4H3,(H2,15,16,17);1H
InChIKeyRXHYHHUXKDNIRC-UHFFFAOYSA-N
MW414.33 g/mol
LogP0.92
Rot. Bonds7

About 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide

1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide (PubChem CID 110942539) has the molecular formula C14H31IN4O2 and a molecular weight of 414.33 g/mol. Its IUPAC name is 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
PubChem CID110942539
Molecular FormulaC14H31IN4O2
Molecular Weight414.33 g/mol
Exact Mass414.15
IUPAC Name1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCCCN1CC(C)OC(C)C1)NCCOC.I
InChIInChI=1S/C14H30N4O2.HI/c1-12-10-18(11-13(2)20-12)8-5-6-16-14(15-3)17-7-9-19-4;/h12-13H,5-11H2,1-4H3,(H2,15,16,17);1H
InChIKeyRXHYHHUXKDNIRC-UHFFFAOYSA-N
XLogP0.92
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
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'}

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Related Compounds

1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 110982922
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine;hydroiodide
CID 111691409
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylguanidine;hydroiodide
CID 51131455
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111962521
1-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110940387
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(3-ethoxy-4-methylpentyl)-2-methylguanidine
CID 111717474
N-tert-butyl-2-[[N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111384889
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111903667
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-3-(2-phenylsulfanylethyl)guanidine
CID 111373377
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111389286
1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylguanidine;hydroiodide
CID 111878160
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111258542

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide (CID 110942539) is 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide is C/N=C(/NCCCN1CC(C)OC(C)C1)NCCOC.I.
What is the InChIKey of 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide?
The InChIKey is RXHYHHUXKDNIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2.HI/c1-12-10-18(11-13(2)20-12)8-5-6-16-14(15-3)17-7-9-19-4;/h12-13H,5-11H2,1-4H3,(H2,15,16,17);1H.
What are the key properties of 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide?
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide has a molecular weight of 414.33 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 110942539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).