1-ethyl-2-[2-(3-methylmorpholin-4-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide

C13H25IN4O — CID 137060589

IUPAC1-ethyl-2-[2-(3-methylmorpholin-4-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide
SMILESC#CCN/C(=N/CCN1CCOCC1C)NCC.I
InChIInChI=1S/C13H24N4O.HI/c1-4-6-15-13(14-5-2)16-7-8-17-9-10-18-11-12(17)3;/h1,12H,5-11H2,2-3H3,(H2,14,15,16);1H
InChIKeyXBAUAVFGODZRDP-UHFFFAOYSA-N
MW380.27 g/mol
LogP0.51
Rot. Bonds5

About 1-ethyl-2-[2-(3-methylmorpholin-4-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide

1-ethyl-2-[2-(3-methylmorpholin-4-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide (PubChem CID 137060589) has the molecular formula C13H25IN4O and a molecular weight of 380.27 g/mol. Its IUPAC name is 1-ethyl-2-[2-(3-methylmorpholin-4-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[2-(3-methylmorpholin-4-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide
PubChem CID137060589
Molecular FormulaC13H25IN4O
Molecular Weight380.27 g/mol
Exact Mass380.11
IUPAC Name1-ethyl-2-[2-(3-methylmorpholin-4-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide
SMILESC#CCN/C(=N/CCN1CCOCC1C)NCC.I
InChIInChI=1S/C13H24N4O.HI/c1-4-6-15-13(14-5-2)16-7-8-17-9-10-18-11-12(17)3;/h1,12H,5-11H2,2-3H3,(H2,14,15,16);1H
InChIKeyXBAUAVFGODZRDP-UHFFFAOYSA-N
XLogP0.51
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 50.51
H-Bond Donors ≤ 52
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-(2-morpholin-4-ylethyl)-3-prop-2-ynylguanidine
CID 136924073
1-ethyl-2-(3-morpholin-4-ylpropyl)-3-prop-2-ynylguanidine
CID 136925418
2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide
CID 136921964
N-ethyl-N'-[2-(3-methylmorpholin-4-yl)ethyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119144133
1-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]-3-prop-2-ynylguanidine;hydroiodide
CID 136920988
1-ethyl-2-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-3-prop-2-ynylguanidine;hydroiodide
CID 136921930
1-ethyl-2-[4-(2-methylpiperidin-1-yl)butyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111187646
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide
CID 136926559
1-ethyl-2-[2-(3-methylmorpholin-4-yl)propyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111839177
N-ethyl-4-(3-methylmorpholin-4-yl)butan-1-amine
CID 62421385
1-ethyl-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-prop-2-ynylguanidine;hydroiodide
CID 111848824
2-(3-methylmorpholin-4-yl)ethanol
CID 43542486

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(3-methylmorpholin-4-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[2-(3-methylmorpholin-4-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide (CID 137060589) is 1-ethyl-2-[2-(3-methylmorpholin-4-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[2-(3-methylmorpholin-4-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[2-(3-methylmorpholin-4-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide is C#CCN/C(=N/CCN1CCOCC1C)NCC.I.
What is the InChIKey of 1-ethyl-2-[2-(3-methylmorpholin-4-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide?
The InChIKey is XBAUAVFGODZRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O.HI/c1-4-6-15-13(14-5-2)16-7-8-17-9-10-18-11-12(17)3;/h1,12H,5-11H2,2-3H3,(H2,14,15,16);1H.
What are the key properties of 1-ethyl-2-[2-(3-methylmorpholin-4-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide?
1-ethyl-2-[2-(3-methylmorpholin-4-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide has a molecular weight of 380.27 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(3-methylmorpholin-4-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide is sourced from PubChem (CID 137060589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).