2-(2-ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide

C15H32IN3O — CID 109483046

IUPAC2-(2-ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\CCOCC)NCC.I
InChIInChI=1S/C15H31N3O.HI/c1-5-8-9-10-11-13-18(4)15(16-6-2)17-12-14-19-7-3;/h5H,1,6-14H2,2-4H3,(H,16,17);1H
InChIKeyYWFXUWAZMJIIPF-UHFFFAOYSA-N
MW397.35 g/mol
LogP3.28
Rot. Bonds11

About 2-(2-ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide

2-(2-ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide (PubChem CID 109483046) has the molecular formula C15H32IN3O and a molecular weight of 397.35 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
PubChem CID109483046
Molecular FormulaC15H32IN3O
Molecular Weight397.35 g/mol
Exact Mass397.16
IUPAC Name2-(2-ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\CCOCC)NCC.I
InChIInChI=1S/C15H31N3O.HI/c1-5-8-9-10-11-13-18(4)15(16-6-2)17-12-14-19-7-3;/h5H,1,6-14H2,2-4H3,(H,16,17);1H
InChIKeyYWFXUWAZMJIIPF-UHFFFAOYSA-N
XLogP3.28
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
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-Hept-6-enyl-1,2-dimethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 109482908
1-Hept-6-enyl-1,2-dimethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 109482909
1-Hept-6-enyl-1,2-dimethyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 109482918
1-Hept-6-enyl-1,2-dimethyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 109482919
2-(2-Ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine
CID 109483047
1-Hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine;hydroiodide
CID 109483076
1-Hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine
CID 109483077
3-Ethyl-1-hept-6-enyl-2-(2-methoxy-2-methylpropyl)-1-methylguanidine;hydroiodide
CID 109483106
3-Ethyl-1-hept-6-enyl-2-(2-methoxy-2-methylpropyl)-1-methylguanidine
CID 109483107
1-Hept-6-enyl-3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethylguanidine;hydroiodide
CID 109483152
1-Hept-6-enyl-3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethylguanidine
CID 109483153
3-Ethyl-1-hept-6-enyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 109483158

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide?
The IUPAC name of 2-(2-ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide (CID 109483046) is 2-(2-ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide.
What is the SMILES notation for 2-(2-ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide?
The canonical SMILES for 2-(2-ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide is C=CCCCCCN(C)/C(=N\CCOCC)NCC.I.
What is the InChIKey of 2-(2-ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide?
The InChIKey is YWFXUWAZMJIIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O.HI/c1-5-8-9-10-11-13-18(4)15(16-6-2)17-12-14-19-7-3;/h5H,1,6-14H2,2-4H3,(H,16,17);1H.
What are the key properties of 2-(2-ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide?
2-(2-ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide has a molecular weight of 397.35 g/mol, XLogP of 3.28, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide is sourced from PubChem (CID 109483046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).