2-[2-(4-hydroxyoxan-4-yl)ethyl]-1-prop-2-enylguanidine;hydroiodide

C11H22IN3O2 — CID 137158975

IUPAC2-[2-(4-hydroxyoxan-4-yl)ethyl]-1-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(N)=N/CCC1(O)CCOCC1.I
InChIInChI=1S/C11H21N3O2.HI/c1-2-6-13-10(12)14-7-3-11(15)4-8-16-9-5-11;/h2,15H,1,3-9H2,(H3,12,13,14);1H
InChIKeyJZGLAPRKUWDMGB-UHFFFAOYSA-N
MW355.22 g/mol
LogP0.63
Rot. Bonds5

About 2-[2-(4-hydroxyoxan-4-yl)ethyl]-1-prop-2-enylguanidine;hydroiodide

2-[2-(4-hydroxyoxan-4-yl)ethyl]-1-prop-2-enylguanidine;hydroiodide (PubChem CID 137158975) has the molecular formula C11H22IN3O2 and a molecular weight of 355.22 g/mol. Its IUPAC name is 2-[2-(4-hydroxyoxan-4-yl)ethyl]-1-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(4-hydroxyoxan-4-yl)ethyl]-1-prop-2-enylguanidine;hydroiodide
PubChem CID137158975
Molecular FormulaC11H22IN3O2
Molecular Weight355.22 g/mol
Exact Mass355.08
IUPAC Name2-[2-(4-hydroxyoxan-4-yl)ethyl]-1-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(N)=N/CCC1(O)CCOCC1.I
InChIInChI=1S/C11H21N3O2.HI/c1-2-6-13-10(12)14-7-3-11(15)4-8-16-9-5-11;/h2,15H,1,3-9H2,(H3,12,13,14);1H
InChIKeyJZGLAPRKUWDMGB-UHFFFAOYSA-N
XLogP0.63
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[(4-hydroxy-8-oxaspiro[4.5]decan-3-yl)methyl]-1-prop-2-enylguanidine;hydroiodide
CID 120822881
1-ethyl-2-[(4-hydroxyoxan-4-yl)methyl]-3-prop-2-enylguanidine;hydroiodide
CID 110981184
2-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1-prop-2-enylguanidine;hydroiodide
CID 111464779
4-amino-N-prop-2-enyloxane-4-carboxamide
CID 115293592
2-[(1-methylsulfonylcyclopropyl)methyl]-1-prop-2-enylguanidine;hydroiodide
CID 120662733
2-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1-prop-2-enylguanidine
CID 137062612
2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-prop-2-enylguanidine
CID 111911840
2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-prop-2-enylguanidine
CID 137136827
1-[2-(4-hydroxyoxan-4-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine
CID 120973129
1-prop-2-enyl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 136921209
2-(2-tert-butylsulfonylethyl)-1-prop-2-enylguanidine;hydroiodide
CID 136703894
2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine
CID 110927714

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxyoxan-4-yl)ethyl]-1-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 2-[2-(4-hydroxyoxan-4-yl)ethyl]-1-prop-2-enylguanidine;hydroiodide (CID 137158975) is 2-[2-(4-hydroxyoxan-4-yl)ethyl]-1-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(4-hydroxyoxan-4-yl)ethyl]-1-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(4-hydroxyoxan-4-yl)ethyl]-1-prop-2-enylguanidine;hydroiodide is C=CCN/C(N)=N/CCC1(O)CCOCC1.I.
What is the InChIKey of 2-[2-(4-hydroxyoxan-4-yl)ethyl]-1-prop-2-enylguanidine;hydroiodide?
The InChIKey is JZGLAPRKUWDMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2.HI/c1-2-6-13-10(12)14-7-3-11(15)4-8-16-9-5-11;/h2,15H,1,3-9H2,(H3,12,13,14);1H.
What are the key properties of 2-[2-(4-hydroxyoxan-4-yl)ethyl]-1-prop-2-enylguanidine;hydroiodide?
2-[2-(4-hydroxyoxan-4-yl)ethyl]-1-prop-2-enylguanidine;hydroiodide has a molecular weight of 355.22 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyoxan-4-yl)ethyl]-1-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 137158975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).