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

C15H31IN4O — CID 109498497

IUPAC3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-pent-4-enylguanidine;hydroiodide
SMILESC=CCCCN(C)/C(=N/CCN1CCOCC1)NCC.I
InChIInChI=1S/C15H30N4O.HI/c1-4-6-7-9-18(3)15(16-5-2)17-8-10-19-11-13-20-14-12-19;/h4H,1,5-14H2,2-3H3,(H,16,17);1H
InChIKeyJNZFOOFMJSVGCF-UHFFFAOYSA-N
MW410.34 g/mol
LogP1.80
Rot. Bonds8

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

3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-pent-4-enylguanidine;hydroiodide (PubChem CID 109498497) has the molecular formula C15H31IN4O and a molecular weight of 410.34 g/mol. Its IUPAC name is 3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-pent-4-enylguanidine;hydroiodide.

Molecular Properties

Compound Name3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-pent-4-enylguanidine;hydroiodide
PubChem CID109498497
Molecular FormulaC15H31IN4O
Molecular Weight410.34 g/mol
Exact Mass410.15
IUPAC Name3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-pent-4-enylguanidine;hydroiodide
SMILESC=CCCCN(C)/C(=N/CCN1CCOCC1)NCC.I
InChIInChI=1S/C15H30N4O.HI/c1-4-6-7-9-18(3)15(16-5-2)17-8-10-19-11-13-20-14-12-19;/h4H,1,5-14H2,2-3H3,(H,16,17);1H
InChIKeyJNZFOOFMJSVGCF-UHFFFAOYSA-N
XLogP1.80
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.34
LogP ≤ 51.80
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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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-pent-4-enylguanidine;hydroiodide?
The IUPAC name of 3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-pent-4-enylguanidine;hydroiodide (CID 109498497) is 3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-pent-4-enylguanidine;hydroiodide.
What is the SMILES notation for 3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-pent-4-enylguanidine;hydroiodide?
The canonical SMILES for 3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-pent-4-enylguanidine;hydroiodide is C=CCCCN(C)/C(=N/CCN1CCOCC1)NCC.I.
What is the InChIKey of 3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-pent-4-enylguanidine;hydroiodide?
The InChIKey is JNZFOOFMJSVGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O.HI/c1-4-6-7-9-18(3)15(16-5-2)17-8-10-19-11-13-20-14-12-19;/h4H,1,5-14H2,2-3H3,(H,16,17);1H.
What are the key properties of 3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-pent-4-enylguanidine;hydroiodide?
3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-pent-4-enylguanidine;hydroiodide has a molecular weight of 410.34 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-pent-4-enylguanidine;hydroiodide is sourced from PubChem (CID 109498497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).