1-(2-ethoxyethyl)-2-hexylguanidine;hydroiodide

C11H26IN3O — CID 111045515

IUPAC1-(2-ethoxyethyl)-2-hexylguanidine;hydroiodide
SMILESCCCCCC/N=C(\N)NCCOCC.I
InChIInChI=1S/C11H25N3O.HI/c1-3-5-6-7-8-13-11(12)14-9-10-15-4-2;/h3-10H2,1-2H3,(H3,12,13,14);1H
InChIKeyTUJAEFHXCWFUJS-UHFFFAOYSA-N
MW343.25 g/mol
LogP2.13
Rot. Bonds9

About 1-(2-ethoxyethyl)-2-hexylguanidine;hydroiodide

1-(2-ethoxyethyl)-2-hexylguanidine;hydroiodide (PubChem CID 111045515) has the molecular formula C11H26IN3O and a molecular weight of 343.25 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2-hexylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2-hexylguanidine;hydroiodide
PubChem CID111045515
Molecular FormulaC11H26IN3O
Molecular Weight343.25 g/mol
Exact Mass343.11
IUPAC Name1-(2-ethoxyethyl)-2-hexylguanidine;hydroiodide
SMILESCCCCCC/N=C(\N)NCCOCC.I
InChIInChI=1S/C11H25N3O.HI/c1-3-5-6-7-8-13-11(12)14-9-10-15-4-2;/h3-10H2,1-2H3,(H3,12,13,14);1H
InChIKeyTUJAEFHXCWFUJS-UHFFFAOYSA-N
XLogP2.13
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 52.13
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'}

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Related Compounds

1-(4-ethoxybutyl)-2-hexylguanidine
CID 111059587
1-(3-ethoxypropyl)-2-(3-octoxypropyl)guanidine
CID 111084645
2-hexyl-1-(2-propan-2-yloxyethyl)guanidine;hydroiodide
CID 110032724
1-[N'-[6-[[amino-(2-ethoxyethylcarbamoylamino)methylidene]amino]hexyl]carbamimidoyl]-3-(2-ethoxyethyl)urea
CID 88789459
2-(5-methoxypentyl)-1-octylguanidine
CID 111087564
2-[3-(2-hydroxyethoxy)propyl]-1-octylguanidine;hydroiodide
CID 110018593
1-(2-cycloheptyloxyethyl)-2-(3-ethoxypropyl)guanidine;hydroiodide
CID 111575872
methyl 3-[(N'-octylcarbamimidoyl)amino]propanoate;hydroiodide
CID 111063886
1-ethyl-2-nonylguanidine
CID 111034740
2-(3-butoxypropyl)-1-butylguanidine
CID 111025789
1,2-bis(3-butoxypropyl)guanidine
CID 23104027
2-(3-hydroxypropyl)-1-octylguanidine;hydroiodide
CID 111023661

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-2-hexylguanidine;hydroiodide?
The IUPAC name of 1-(2-ethoxyethyl)-2-hexylguanidine;hydroiodide (CID 111045515) is 1-(2-ethoxyethyl)-2-hexylguanidine;hydroiodide.
What is the SMILES notation for 1-(2-ethoxyethyl)-2-hexylguanidine;hydroiodide?
The canonical SMILES for 1-(2-ethoxyethyl)-2-hexylguanidine;hydroiodide is CCCCCC/N=C(\N)NCCOCC.I.
What is the InChIKey of 1-(2-ethoxyethyl)-2-hexylguanidine;hydroiodide?
The InChIKey is TUJAEFHXCWFUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O.HI/c1-3-5-6-7-8-13-11(12)14-9-10-15-4-2;/h3-10H2,1-2H3,(H3,12,13,14);1H.
What are the key properties of 1-(2-ethoxyethyl)-2-hexylguanidine;hydroiodide?
1-(2-ethoxyethyl)-2-hexylguanidine;hydroiodide has a molecular weight of 343.25 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-2-hexylguanidine;hydroiodide is sourced from PubChem (CID 111045515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).