1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide

C10H22IN3O2 — CID 110980342

IUPAC1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NCCOCCOC.I
InChIInChI=1S/C10H21N3O2.HI/c1-4-5-12-10(11-2)13-6-7-15-9-8-14-3;/h4H,1,5-9H2,2-3H3,(H2,11,12,13);1H
InChIKeyFNMYHMKXGSUDIS-UHFFFAOYSA-N
MW343.21 g/mol
LogP0.62
Rot. Bonds8

About 1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide

1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide (PubChem CID 110980342) has the molecular formula C10H22IN3O2 and a molecular weight of 343.21 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
PubChem CID110980342
Molecular FormulaC10H22IN3O2
Molecular Weight343.21 g/mol
Exact Mass343.08
IUPAC Name1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NCCOCCOC.I
InChIInChI=1S/C10H21N3O2.HI/c1-4-5-12-10(11-2)13-6-7-15-9-8-14-3;/h4H,1,5-9H2,2-3H3,(H2,11,12,13);1H
InChIKeyFNMYHMKXGSUDIS-UHFFFAOYSA-N
XLogP0.62
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-(2-Methoxyethoxy)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 53619119
1-[2-(2-Methoxyethoxy)ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 53619120
3-[2-(2-Methoxyethoxy)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109496429
3-[2-(2-Methoxyethoxy)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109496430
3-Ethyl-2-[2-(2-methoxyethoxy)ethyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide
CID 109497484
3-Ethyl-2-[2-(2-methoxyethoxy)ethyl]-1-methyl-1-pent-4-enylguanidine
CID 109497485
2-(2-But-3-enoxyethyl)-1,3-diethylguanidine;hydroiodide
CID 109616304
2-(2-But-3-enoxyethyl)-1-(2-methoxyethyl)guanidine;hydroiodide
CID 109616306
2-(2-But-3-enoxyethyl)-1-(2-methoxyethyl)guanidine
CID 109616307
1-(2-But-3-enoxyethyl)-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 109616439
2-(2-But-3-enoxyethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 109616453
1-(2-But-3-enoxyethyl)-2-(3-ethoxypropyl)guanidine;hydroiodide
CID 109616458

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide (CID 110980342) is 1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide is C=CCN/C(=N\C)NCCOCCOC.I.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide?
The InChIKey is FNMYHMKXGSUDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2.HI/c1-4-5-12-10(11-2)13-6-7-15-9-8-14-3;/h4H,1,5-9H2,2-3H3,(H2,11,12,13);1H.
What are the key properties of 1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide?
1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide has a molecular weight of 343.21 g/mol, XLogP of 0.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 110980342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).