2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine;hydroiodide

C11H24IN3O — CID 136925659

IUPAC2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N/CCCOCC)NCC.I
InChIInChI=1S/C11H23N3O.HI/c1-4-8-13-11(12-5-2)14-9-7-10-15-6-3;/h4H,1,5-10H2,2-3H3,(H2,12,13,14);1H
InChIKeyQLQXKUHPGVZPLY-UHFFFAOYSA-N
MW341.24 g/mol
LogP1.77
Rot. Bonds8

About 2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine;hydroiodide

2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine;hydroiodide (PubChem CID 136925659) has the molecular formula C11H24IN3O and a molecular weight of 341.24 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine;hydroiodide
PubChem CID136925659
Molecular FormulaC11H24IN3O
Molecular Weight341.24 g/mol
Exact Mass341.10
IUPAC Name2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N/CCCOCC)NCC.I
InChIInChI=1S/C11H23N3O.HI/c1-4-8-13-11(12-5-2)14-9-7-10-15-6-3;/h4H,1,5-10H2,2-3H3,(H2,12,13,14);1H
InChIKeyQLQXKUHPGVZPLY-UHFFFAOYSA-N
XLogP1.77
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 51.77
H-Bond Donors ≤ 52
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

2-Methyl-1-prop-2-enyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 110980292
2-Methyl-1-prop-2-enyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 110980293
1-Prop-2-enyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 136700093
1-Prop-2-enyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 136700094
1-Ethyl-3-prop-2-enyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 136925491
1-Ethyl-3-prop-2-enyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 136925492
N'-[3-(2-methoxyethoxy)propyl]-N-prop-2-enylmethanimidamide
CID 137100325
3-(3-Ethoxypropyl)-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109497093
3-(3-Ethoxypropyl)-1,2-dimethyl-1-pent-4-enylguanidine
CID 109497094
3-(3-Methoxypropyl)-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109498063
3-Ethyl-2-(3-methoxypropyl)-1-methyl-1-pent-4-enylguanidine;hydroiodide
CID 109498491
2-(3-Ethoxypropyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide
CID 109498977

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine;hydroiodide (CID 136925659) is 2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine;hydroiodide is C=CCN/C(=N/CCCOCC)NCC.I.
What is the InChIKey of 2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
The InChIKey is QLQXKUHPGVZPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O.HI/c1-4-8-13-11(12-5-2)14-9-7-10-15-6-3;/h4H,1,5-10H2,2-3H3,(H2,12,13,14);1H.
What are the key properties of 2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine;hydroiodide has a molecular weight of 341.24 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 136925659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).