1-hept-6-enyl-3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethylguanidine

C15H31N3O2 — CID 109483153

IUPAC1-hept-6-enyl-3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethylguanidine
SMILESC=CCCCCCN(C)/C(=N/C)NCCOCCOC
InChIInChI=1S/C15H31N3O2/c1-5-6-7-8-9-11-18(3)15(16-2)17-10-12-20-14-13-19-4/h5H,1,6-14H2,2-4H3,(H,16,17)
InChIKeyJDKOHFMUARXHML-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.90
Rot. Bonds12

About 1-hept-6-enyl-3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethylguanidine

1-hept-6-enyl-3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethylguanidine (PubChem CID 109483153) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-hept-6-enyl-3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethylguanidine.

Molecular Properties

Compound Name1-hept-6-enyl-3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethylguanidine
PubChem CID109483153
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name1-hept-6-enyl-3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethylguanidine
SMILESC=CCCCCCN(C)/C(=N/C)NCCOCCOC
InChIInChI=1S/C15H31N3O2/c1-5-6-7-8-9-11-18(3)15(16-2)17-10-12-20-14-13-19-4/h5H,1,6-14H2,2-4H3,(H,16,17)
InChIKeyJDKOHFMUARXHML-UHFFFAOYSA-N
XLogP1.90
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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
CID 109483077
1-Hept-6-enyl-3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethylguanidine;hydroiodide
CID 109483152
3-Ethyl-1-hept-6-enyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine
CID 109483159
1-Hept-6-enyl-3-(2-methoxyethyl)-1,2-dimethylguanidine;hydroiodide
CID 109483196
1-Hept-6-enyl-3-(2-methoxyethyl)-1,2-dimethylguanidine
CID 109483197
3-[4-(Dimethylamino)-2-ethoxybutyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109483384
3-[4-(Dimethylamino)-2-ethoxybutyl]-1-hept-6-enyl-1,2-dimethylguanidine
CID 109483385
3-(3-Ethoxypropyl)-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109483464
3-(3-Ethoxypropyl)-1-hept-6-enyl-1,2-dimethylguanidine
CID 109483465

Frequently Asked Questions

What is the IUPAC name of 1-hept-6-enyl-3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethylguanidine?
The IUPAC name of 1-hept-6-enyl-3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethylguanidine (CID 109483153) is 1-hept-6-enyl-3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethylguanidine.
What is the SMILES notation for 1-hept-6-enyl-3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethylguanidine?
The canonical SMILES for 1-hept-6-enyl-3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethylguanidine is C=CCCCCCN(C)/C(=N/C)NCCOCCOC.
What is the InChIKey of 1-hept-6-enyl-3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethylguanidine?
The InChIKey is JDKOHFMUARXHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-5-6-7-8-9-11-18(3)15(16-2)17-10-12-20-14-13-19-4/h5H,1,6-14H2,2-4H3,(H,16,17).
What are the key properties of 1-hept-6-enyl-3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethylguanidine?
1-hept-6-enyl-3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethylguanidine has a molecular weight of 285.43 g/mol, XLogP of 1.90, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enyl-3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethylguanidine is sourced from PubChem (CID 109483153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).