2-(2-ethylhexyl)-1-(2-methoxyethyl)guanidine;hydroiodide

C12H28IN3O — CID 110925196

IUPAC2-(2-ethylhexyl)-1-(2-methoxyethyl)guanidine;hydroiodide
SMILESCCCCC(CC)C/N=C(\N)NCCOC.I
InChIInChI=1S/C12H27N3O.HI/c1-4-6-7-11(5-2)10-15-12(13)14-8-9-16-3;/h11H,4-10H2,1-3H3,(H3,13,14,15);1H
InChIKeyWFWKZGDYVHGZPF-UHFFFAOYSA-N
MW357.28 g/mol
LogP2.37
Rot. Bonds9

About 2-(2-ethylhexyl)-1-(2-methoxyethyl)guanidine;hydroiodide

2-(2-ethylhexyl)-1-(2-methoxyethyl)guanidine;hydroiodide (PubChem CID 110925196) has the molecular formula C12H28IN3O and a molecular weight of 357.28 g/mol. Its IUPAC name is 2-(2-ethylhexyl)-1-(2-methoxyethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-ethylhexyl)-1-(2-methoxyethyl)guanidine;hydroiodide
PubChem CID110925196
Molecular FormulaC12H28IN3O
Molecular Weight357.28 g/mol
Exact Mass357.13
IUPAC Name2-(2-ethylhexyl)-1-(2-methoxyethyl)guanidine;hydroiodide
SMILESCCCCC(CC)C/N=C(\N)NCCOC.I
InChIInChI=1S/C12H27N3O.HI/c1-4-6-7-11(5-2)10-15-12(13)14-8-9-16-3;/h11H,4-10H2,1-3H3,(H3,13,14,15);1H
InChIKeyWFWKZGDYVHGZPF-UHFFFAOYSA-N
XLogP2.37
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 52.37
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

2-(2-ethylhexyl)-1-(1-methoxypropan-2-yl)guanidine
CID 111022536
2-ethylhexyl N-(2-methoxyethyl)carbamate
CID 18954420
1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidine;hydrochloride
CID 18968508
2-(2-ethylhexyl)-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111022489
butyl 2-amino-4-[[amino-(2-methoxyethylamino)methylidene]amino]butanoate
CID 72796651
methyl 3-[[amino-(2-methoxyethylamino)methylidene]amino]-2-methylpropanoate
CID 110930535
1-(2-methoxyethyl)-2-(7-methyloctyl)guanidine;hydroiodide
CID 110925122
1-[2-(2-butoxyethoxy)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111821808
1-amino-2-(2-ethylhexyl)-3-propylguanidine
CID 107819395
2-[[amino(propylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111036987
1-carbamimidoyl-2-(2-ethylhexyl)guanidine;hydrochloride
CID 176518157
2-[[(2-ethylhexylamino)-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110941869

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexyl)-1-(2-methoxyethyl)guanidine;hydroiodide?
The IUPAC name of 2-(2-ethylhexyl)-1-(2-methoxyethyl)guanidine;hydroiodide (CID 110925196) is 2-(2-ethylhexyl)-1-(2-methoxyethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(2-ethylhexyl)-1-(2-methoxyethyl)guanidine;hydroiodide?
The canonical SMILES for 2-(2-ethylhexyl)-1-(2-methoxyethyl)guanidine;hydroiodide is CCCCC(CC)C/N=C(\N)NCCOC.I.
What is the InChIKey of 2-(2-ethylhexyl)-1-(2-methoxyethyl)guanidine;hydroiodide?
The InChIKey is WFWKZGDYVHGZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O.HI/c1-4-6-7-11(5-2)10-15-12(13)14-8-9-16-3;/h11H,4-10H2,1-3H3,(H3,13,14,15);1H.
What are the key properties of 2-(2-ethylhexyl)-1-(2-methoxyethyl)guanidine;hydroiodide?
2-(2-ethylhexyl)-1-(2-methoxyethyl)guanidine;hydroiodide has a molecular weight of 357.28 g/mol, XLogP of 2.37, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexyl)-1-(2-methoxyethyl)guanidine;hydroiodide is sourced from PubChem (CID 110925196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).