2-(2-ethoxyethyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide

C13H28IN3O — CID 109496192

IUPAC2-(2-ethoxyethyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide
SMILESC=CCCCN(C)/C(=N\CCOCC)NCC.I
InChIInChI=1S/C13H27N3O.HI/c1-5-8-9-11-16(4)13(14-6-2)15-10-12-17-7-3;/h5H,1,6-12H2,2-4H3,(H,14,15);1H
InChIKeyHOKVNEPQRFOHKG-UHFFFAOYSA-N
MW369.29 g/mol
LogP2.50
Rot. Bonds9

About 2-(2-ethoxyethyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide

2-(2-ethoxyethyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide (PubChem CID 109496192) has the molecular formula C13H28IN3O and a molecular weight of 369.29 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide
PubChem CID109496192
Molecular FormulaC13H28IN3O
Molecular Weight369.29 g/mol
Exact Mass369.13
IUPAC Name2-(2-ethoxyethyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide
SMILESC=CCCCN(C)/C(=N\CCOCC)NCC.I
InChIInChI=1S/C13H27N3O.HI/c1-5-8-9-11-16(4)13(14-6-2)15-10-12-17-7-3;/h5H,1,6-12H2,2-4H3,(H,14,15);1H
InChIKeyHOKVNEPQRFOHKG-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

1,2-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
1-(2-But-3-enoxyethyl)-2-methylguanidine
CID 103852686
1-(2-But-3-enoxyethyl)-2-propylguanidine
CID 103852805
2-(2-But-3-enoxyethyl)-1-ethylguanidine
CID 103852806
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-(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-3-(2-methoxyethyl)-1,2-dimethylguanidine;hydroiodide
CID 109483196

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide?
The IUPAC name of 2-(2-ethoxyethyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide (CID 109496192) is 2-(2-ethoxyethyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide.
What is the SMILES notation for 2-(2-ethoxyethyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide?
The canonical SMILES for 2-(2-ethoxyethyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide is C=CCCCN(C)/C(=N\CCOCC)NCC.I.
What is the InChIKey of 2-(2-ethoxyethyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide?
The InChIKey is HOKVNEPQRFOHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.HI/c1-5-8-9-11-16(4)13(14-6-2)15-10-12-17-7-3;/h5H,1,6-12H2,2-4H3,(H,14,15);1H.
What are the key properties of 2-(2-ethoxyethyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide?
2-(2-ethoxyethyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;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 2-(2-ethoxyethyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide is sourced from PubChem (CID 109496192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).