1-(5-methoxypentyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide

C11H24IN3O — CID 110980690

IUPAC1-(5-methoxypentyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NCCCCCOC.I
InChIInChI=1S/C11H23N3O.HI/c1-4-8-13-11(12-2)14-9-6-5-7-10-15-3;/h4H,1,5-10H2,2-3H3,(H2,12,13,14);1H
InChIKeyGBWFVGGZNARRBQ-UHFFFAOYSA-N
MW341.24 g/mol
LogP1.77
Rot. Bonds8

About 1-(5-methoxypentyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide

1-(5-methoxypentyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide (PubChem CID 110980690) has the molecular formula C11H24IN3O and a molecular weight of 341.24 g/mol. Its IUPAC name is 1-(5-methoxypentyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(5-methoxypentyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide
PubChem CID110980690
Molecular FormulaC11H24IN3O
Molecular Weight341.24 g/mol
Exact Mass341.10
IUPAC Name1-(5-methoxypentyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NCCCCCOC.I
InChIInChI=1S/C11H23N3O.HI/c1-4-8-13-11(12-2)14-9-6-5-7-10-15-3;/h4H,1,5-10H2,2-3H3,(H2,12,13,14);1H
InChIKeyGBWFVGGZNARRBQ-UHFFFAOYSA-N
XLogP1.77
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-hexyl-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide
CID 111161626
2-methyl-1-[4-(4-methylphenoxy)butyl]-3-prop-2-enylguanidine
CID 110980541
1-(5,5-dimethylhexyl)-2-methyl-3-prop-2-enylguanidine
CID 110982625
1-(2-methoxy-2-methylpropyl)-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide
CID 111607254
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 110982416
ethyl 7-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]heptanoate
CID 110982893
methyl 7-[[N-(3-methoxypropyl)-N'-methylcarbamimidoyl]amino]heptanoate;hydroiodide
CID 110976362
2-methyl-1-prop-2-enyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 110980293
2-methyl-1-[3-(4-methylphenoxy)propyl]-3-prop-2-enylguanidine;hydroiodide
CID 110980726
1-[3-(3-methoxyphenoxy)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 111790762
2-methyl-1-[3-(oxan-4-yloxy)propyl]-3-prop-2-enylguanidine
CID 111667444
1-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110974894

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxypentyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 1-(5-methoxypentyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide (CID 110980690) is 1-(5-methoxypentyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 1-(5-methoxypentyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 1-(5-methoxypentyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide is C=CCN/C(=N\C)NCCCCCOC.I.
What is the InChIKey of 1-(5-methoxypentyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide?
The InChIKey is GBWFVGGZNARRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O.HI/c1-4-8-13-11(12-2)14-9-6-5-7-10-15-3;/h4H,1,5-10H2,2-3H3,(H2,12,13,14);1H.
What are the key properties of 1-(5-methoxypentyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide?
1-(5-methoxypentyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide has a molecular weight of 341.24 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxypentyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 110980690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).