3-ethyl-2-[3-(2-methoxyethoxy)propyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide

C15H32IN3O2 — CID 109497697

IUPAC3-ethyl-2-[3-(2-methoxyethoxy)propyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide
SMILESC=CCCCN(C)/C(=N\CCCOCCOC)NCC.I
InChIInChI=1S/C15H31N3O2.HI/c1-5-7-8-11-18(3)15(16-6-2)17-10-9-12-20-14-13-19-4;/h5H,1,6-14H2,2-4H3,(H,16,17);1H
InChIKeyVSLQHTKHAUAKAY-UHFFFAOYSA-N
MW413.34 g/mol
LogP2.52
Rot. Bonds12

About 3-ethyl-2-[3-(2-methoxyethoxy)propyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide

3-ethyl-2-[3-(2-methoxyethoxy)propyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide (PubChem CID 109497697) has the molecular formula C15H32IN3O2 and a molecular weight of 413.34 g/mol. Its IUPAC name is 3-ethyl-2-[3-(2-methoxyethoxy)propyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide.

Molecular Properties

Compound Name3-ethyl-2-[3-(2-methoxyethoxy)propyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide
PubChem CID109497697
Molecular FormulaC15H32IN3O2
Molecular Weight413.34 g/mol
Exact Mass413.15
IUPAC Name3-ethyl-2-[3-(2-methoxyethoxy)propyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide
SMILESC=CCCCN(C)/C(=N\CCCOCCOC)NCC.I
InChIInChI=1S/C15H31N3O2.HI/c1-5-7-8-11-18(3)15(16-6-2)17-10-9-12-20-14-13-19-4;/h5H,1,6-14H2,2-4H3,(H,16,17);1H
InChIKeyVSLQHTKHAUAKAY-UHFFFAOYSA-N
XLogP2.52
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.34
LogP ≤ 52.52
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2-Dimethyl-1-pent-4-enyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 109495874
1,2-Dimethyl-1-pent-4-enyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 109495875
3-Ethyl-1-methyl-1-pent-4-enyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 109496992
3-Ethyl-1-methyl-1-pent-4-enyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 109496993
2-(2-Ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
CID 109483046
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
1-Hept-6-enyl-1,2-dimethyl-3-(3-propan-2-yloxypropyl)guanidine;hydroiodide
CID 109483174
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
3-[2-(2-Butoxyethoxy)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109483548
3-[2-(2-Butoxyethoxy)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine
CID 109483549

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[3-(2-methoxyethoxy)propyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide?
The IUPAC name of 3-ethyl-2-[3-(2-methoxyethoxy)propyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide (CID 109497697) is 3-ethyl-2-[3-(2-methoxyethoxy)propyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide.
What is the SMILES notation for 3-ethyl-2-[3-(2-methoxyethoxy)propyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide?
The canonical SMILES for 3-ethyl-2-[3-(2-methoxyethoxy)propyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide is C=CCCCN(C)/C(=N\CCCOCCOC)NCC.I.
What is the InChIKey of 3-ethyl-2-[3-(2-methoxyethoxy)propyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide?
The InChIKey is VSLQHTKHAUAKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2.HI/c1-5-7-8-11-18(3)15(16-6-2)17-10-9-12-20-14-13-19-4;/h5H,1,6-14H2,2-4H3,(H,16,17);1H.
What are the key properties of 3-ethyl-2-[3-(2-methoxyethoxy)propyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide?
3-ethyl-2-[3-(2-methoxyethoxy)propyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide has a molecular weight of 413.34 g/mol, XLogP of 2.52, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[3-(2-methoxyethoxy)propyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide is sourced from PubChem (CID 109497697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).