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

C15H31N3O — CID 109483047

IUPAC2-(2-ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine
SMILESC=CCCCCCN(C)/C(=N\CCOCC)NCC
InChIInChI=1S/C15H31N3O/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)
InChIKeyVVTGXORIAFHZNN-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.67
Rot. Bonds11

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

2-(2-ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine (PubChem CID 109483047) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine
PubChem CID109483047
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-(2-ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine
SMILESC=CCCCCCN(C)/C(=N\CCOCC)NCC
InChIInChI=1S/C15H31N3O/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)
InChIKeyVVTGXORIAFHZNN-UHFFFAOYSA-N
XLogP2.67
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.67
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': '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;hydroiodide
CID 109483046
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?
The IUPAC name of 2-(2-ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine (CID 109483047) is 2-(2-ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine.
What is the SMILES notation for 2-(2-ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine?
The canonical SMILES for 2-(2-ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine is C=CCCCCCN(C)/C(=N\CCOCC)NCC.
What is the InChIKey of 2-(2-ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine?
The InChIKey is VVTGXORIAFHZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/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).
What are the key properties of 2-(2-ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine?
2-(2-ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine has a molecular weight of 269.43 g/mol, XLogP of 2.67, 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 is sourced from PubChem (CID 109483047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).