1-(2-methoxyethyl)-2-(7-methyloctyl)guanidine;hydroiodide

C13H30IN3O — CID 110925122

IUPAC1-(2-methoxyethyl)-2-(7-methyloctyl)guanidine;hydroiodide
SMILESCOCCN/C(N)=N/CCCCCCC(C)C.I
InChIInChI=1S/C13H29N3O.HI/c1-12(2)8-6-4-5-7-9-15-13(14)16-10-11-17-3;/h12H,4-11H2,1-3H3,(H3,14,15,16);1H
InChIKeyAZHNZJPADDSZNC-UHFFFAOYSA-N
MW371.31 g/mol
LogP2.76
Rot. Bonds10

About 1-(2-methoxyethyl)-2-(7-methyloctyl)guanidine;hydroiodide

1-(2-methoxyethyl)-2-(7-methyloctyl)guanidine;hydroiodide (PubChem CID 110925122) has the molecular formula C13H30IN3O and a molecular weight of 371.31 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-(7-methyloctyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-(7-methyloctyl)guanidine;hydroiodide
PubChem CID110925122
Molecular FormulaC13H30IN3O
Molecular Weight371.31 g/mol
Exact Mass371.14
IUPAC Name1-(2-methoxyethyl)-2-(7-methyloctyl)guanidine;hydroiodide
SMILESCOCCN/C(N)=N/CCCCCCC(C)C.I
InChIInChI=1S/C13H29N3O.HI/c1-12(2)8-6-4-5-7-9-15-13(14)16-10-11-17-3;/h12H,4-11H2,1-3H3,(H3,14,15,16);1H
InChIKeyAZHNZJPADDSZNC-UHFFFAOYSA-N
XLogP2.76
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 52.76
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-(5-methoxypentyl)-1-(3-methylbutyl)guanidine
CID 111087551
1-ethyl-2-(7-methyloctyl)guanidine;hydroiodide
CID 111025048
(2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylpentanamide
CID 11160923
1-amino-3-(2-methoxyethyl)-2-(4-methylpentyl)guanidine
CID 104885989
2-hexyl-1-(2-propan-2-yloxyethyl)guanidine;hydroiodide
CID 110032724
1-(2-methoxyethyl)-2-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide
CID 111464935
2-(5-methoxypentyl)-1-octylguanidine
CID 111087564
2-[7-(dimethylamino)heptyl]-1-(3-methylbutyl)guanidine
CID 111084873
2-(3-ethoxy-4-methylpentyl)-1-(2-methoxyethyl)guanidine
CID 111542686
2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine
CID 110918294
1-(2-methoxyethyl)-2-methyl-3-(7-methyloctyl)guanidine
CID 110941010
propan-2-yl 2-amino-4-[[amino-(2-methoxyethylamino)methylidene]amino]butanoate
CID 73080289

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-(7-methyloctyl)guanidine;hydroiodide?
The IUPAC name of 1-(2-methoxyethyl)-2-(7-methyloctyl)guanidine;hydroiodide (CID 110925122) is 1-(2-methoxyethyl)-2-(7-methyloctyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(2-methoxyethyl)-2-(7-methyloctyl)guanidine;hydroiodide?
The canonical SMILES for 1-(2-methoxyethyl)-2-(7-methyloctyl)guanidine;hydroiodide is COCCN/C(N)=N/CCCCCCC(C)C.I.
What is the InChIKey of 1-(2-methoxyethyl)-2-(7-methyloctyl)guanidine;hydroiodide?
The InChIKey is AZHNZJPADDSZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O.HI/c1-12(2)8-6-4-5-7-9-15-13(14)16-10-11-17-3;/h12H,4-11H2,1-3H3,(H3,14,15,16);1H.
What are the key properties of 1-(2-methoxyethyl)-2-(7-methyloctyl)guanidine;hydroiodide?
1-(2-methoxyethyl)-2-(7-methyloctyl)guanidine;hydroiodide has a molecular weight of 371.31 g/mol, XLogP of 2.76, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-(7-methyloctyl)guanidine;hydroiodide is sourced from PubChem (CID 110925122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).