1-(1-methoxypropan-2-yl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide

C14H31IN4O2 — CID 111836738

IUPAC1-(1-methoxypropan-2-yl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESC/N=C(/NCC(C)CN1CCOCC1)NC(C)COC.I
InChIInChI=1S/C14H30N4O2.HI/c1-12(10-18-5-7-20-8-6-18)9-16-14(15-3)17-13(2)11-19-4;/h12-13H,5-11H2,1-4H3,(H2,15,16,17);1H
InChIKeyJFJHXQKWWHTKNL-UHFFFAOYSA-N
MW414.33 g/mol
LogP0.77
Rot. Bonds7

About 1-(1-methoxypropan-2-yl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide

1-(1-methoxypropan-2-yl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide (PubChem CID 111836738) has the molecular formula C14H31IN4O2 and a molecular weight of 414.33 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
PubChem CID111836738
Molecular FormulaC14H31IN4O2
Molecular Weight414.33 g/mol
Exact Mass414.15
IUPAC Name1-(1-methoxypropan-2-yl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESC/N=C(/NCC(C)CN1CCOCC1)NC(C)COC.I
InChIInChI=1S/C14H30N4O2.HI/c1-12(10-18-5-7-20-8-6-18)9-16-14(15-3)17-13(2)11-19-4;/h12-13H,5-11H2,1-4H3,(H2,15,16,17);1H
InChIKeyJFJHXQKWWHTKNL-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
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-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-methylpropyl)guanidine
CID 111835613
1-(1-methoxypropan-2-yl)-2-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111236701
2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111840064
2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-propan-2-ylguanidine;hydroiodide
CID 111125471
1-butyl-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111835246
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111234364
1-amino-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-ylethyl)guanidine
CID 104883090
2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111839390
2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(3-phenoxypropyl)guanidine;hydroiodide
CID 111840550
1-[2-(4-ethylpiperazin-1-yl)propyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111236032
1-(2-ethylhexyl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111834724
2-methyl-1-(3-methylbutan-2-yl)-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111002632

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-(1-methoxypropan-2-yl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide (CID 111836738) is 1-(1-methoxypropan-2-yl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide is C/N=C(/NCC(C)CN1CCOCC1)NC(C)COC.I.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The InChIKey is JFJHXQKWWHTKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2.HI/c1-12(10-18-5-7-20-8-6-18)9-16-14(15-3)17-13(2)11-19-4;/h12-13H,5-11H2,1-4H3,(H2,15,16,17);1H.
What are the key properties of 1-(1-methoxypropan-2-yl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide?
1-(1-methoxypropan-2-yl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide has a molecular weight of 414.33 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111836738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).