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

C16H33N3O2 — CID 109483631

IUPAC3-ethyl-1-hept-6-enyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine
SMILESC=CCCCCCN(C)/C(=N\CCOCCOC)NCC
InChIInChI=1S/C16H33N3O2/c1-5-7-8-9-10-12-19(3)16(17-6-2)18-11-13-21-15-14-20-4/h5H,1,6-15H2,2-4H3,(H,17,18)
InChIKeyBBLVELJUWBCSIN-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.29
Rot. Bonds13

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

3-ethyl-1-hept-6-enyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine (PubChem CID 109483631) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 3-ethyl-1-hept-6-enyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine.

Molecular Properties

Compound Name3-ethyl-1-hept-6-enyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine
PubChem CID109483631
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name3-ethyl-1-hept-6-enyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine
SMILESC=CCCCCCN(C)/C(=N\CCOCCOC)NCC
InChIInChI=1S/C16H33N3O2/c1-5-7-8-9-10-12-19(3)16(17-6-2)18-11-13-21-15-14-20-4/h5H,1,6-15H2,2-4H3,(H,17,18)
InChIKeyBBLVELJUWBCSIN-UHFFFAOYSA-N
XLogP2.29
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.29
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;hydroiodide
CID 109482918
1-Hept-6-enyl-1,2-dimethyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 109482919
3-Ethyl-1-hept-6-enyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-1-methylguanidine
CID 109482937
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
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
3-Ethyl-1-hept-6-enyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine
CID 109483159
3-Ethyl-1-hept-6-enyl-2-(5-methoxypentyl)-1-methylguanidine;hydroiodide
CID 109483164

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-hept-6-enyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine?
The IUPAC name of 3-ethyl-1-hept-6-enyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine (CID 109483631) is 3-ethyl-1-hept-6-enyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine.
What is the SMILES notation for 3-ethyl-1-hept-6-enyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine?
The canonical SMILES for 3-ethyl-1-hept-6-enyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine is C=CCCCCCN(C)/C(=N\CCOCCOC)NCC.
What is the InChIKey of 3-ethyl-1-hept-6-enyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine?
The InChIKey is BBLVELJUWBCSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-5-7-8-9-10-12-19(3)16(17-6-2)18-11-13-21-15-14-20-4/h5H,1,6-15H2,2-4H3,(H,17,18).
What are the key properties of 3-ethyl-1-hept-6-enyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine?
3-ethyl-1-hept-6-enyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine has a molecular weight of 299.46 g/mol, XLogP of 2.29, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-hept-6-enyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine is sourced from PubChem (CID 109483631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).