1-hept-6-enyl-3-(2-methoxyethyl)-1,2-dimethylguanidine;hydroiodide

C13H28IN3O — CID 109483196

IUPAC1-hept-6-enyl-3-(2-methoxyethyl)-1,2-dimethylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/C)NCCOC.I
InChIInChI=1S/C13H27N3O.HI/c1-5-6-7-8-9-11-16(3)13(14-2)15-10-12-17-4;/h5H,1,6-12H2,2-4H3,(H,14,15);1H
InChIKeyALQUNEHNIHZDJM-UHFFFAOYSA-N
MW369.29 g/mol
LogP2.50
Rot. Bonds9

About 1-hept-6-enyl-3-(2-methoxyethyl)-1,2-dimethylguanidine;hydroiodide

1-hept-6-enyl-3-(2-methoxyethyl)-1,2-dimethylguanidine;hydroiodide (PubChem CID 109483196) has the molecular formula C13H28IN3O and a molecular weight of 369.29 g/mol. Its IUPAC name is 1-hept-6-enyl-3-(2-methoxyethyl)-1,2-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-hept-6-enyl-3-(2-methoxyethyl)-1,2-dimethylguanidine;hydroiodide
PubChem CID109483196
Molecular FormulaC13H28IN3O
Molecular Weight369.29 g/mol
Exact Mass369.13
IUPAC Name1-hept-6-enyl-3-(2-methoxyethyl)-1,2-dimethylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/C)NCCOC.I
InChIInChI=1S/C13H27N3O.HI/c1-5-6-7-8-9-11-16(3)13(14-2)15-10-12-17-4;/h5H,1,6-12H2,2-4H3,(H,14,15);1H
InChIKeyALQUNEHNIHZDJM-UHFFFAOYSA-N
XLogP2.50
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 52.50
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-(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;hydroiodide
CID 109483046
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 1-hept-6-enyl-3-(2-methoxyethyl)-1,2-dimethylguanidine;hydroiodide?
The IUPAC name of 1-hept-6-enyl-3-(2-methoxyethyl)-1,2-dimethylguanidine;hydroiodide (CID 109483196) is 1-hept-6-enyl-3-(2-methoxyethyl)-1,2-dimethylguanidine;hydroiodide.
What is the SMILES notation for 1-hept-6-enyl-3-(2-methoxyethyl)-1,2-dimethylguanidine;hydroiodide?
The canonical SMILES for 1-hept-6-enyl-3-(2-methoxyethyl)-1,2-dimethylguanidine;hydroiodide is C=CCCCCCN(C)/C(=N/C)NCCOC.I.
What is the InChIKey of 1-hept-6-enyl-3-(2-methoxyethyl)-1,2-dimethylguanidine;hydroiodide?
The InChIKey is ALQUNEHNIHZDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.HI/c1-5-6-7-8-9-11-16(3)13(14-2)15-10-12-17-4;/h5H,1,6-12H2,2-4H3,(H,14,15);1H.
What are the key properties of 1-hept-6-enyl-3-(2-methoxyethyl)-1,2-dimethylguanidine;hydroiodide?
1-hept-6-enyl-3-(2-methoxyethyl)-1,2-dimethylguanidine;hydroiodide has a molecular weight of 369.29 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enyl-3-(2-methoxyethyl)-1,2-dimethylguanidine;hydroiodide is sourced from PubChem (CID 109483196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).