1,3-diethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide

C11H24IN3O2 — CID 110032971

IUPAC1,3-diethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide
SMILESCCNC(=NCCC1(C)OCCO1)NCC.I
InChIInChI=1S/C11H23N3O2.HI/c1-4-12-10(13-5-2)14-7-6-11(3)15-8-9-16-11;/h4-9H2,1-3H3,(H2,12,13,14);1H
InChIKeyDXZXSPSYKDXGOE-UHFFFAOYSA-N
MW357.24 g/mol
LogP1.33
Rot. Bonds5

About 1,3-diethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide

1,3-diethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide (PubChem CID 110032971) has the molecular formula C11H24IN3O2 and a molecular weight of 357.24 g/mol. Its IUPAC name is 1,3-diethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,3-diethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide
PubChem CID110032971
Molecular FormulaC11H24IN3O2
Molecular Weight357.24 g/mol
Exact Mass357.09
IUPAC Name1,3-diethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide
SMILESCCNC(=NCCC1(C)OCCO1)NCC.I
InChIInChI=1S/C11H23N3O2.HI/c1-4-12-10(13-5-2)14-7-6-11(3)15-8-9-16-11;/h4-9H2,1-3H3,(H2,12,13,14);1H
InChIKeyDXZXSPSYKDXGOE-UHFFFAOYSA-N
XLogP1.33
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 51.33
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'}

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Related Compounds

1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-propylguanidine;hydroiodide
CID 110033082
N,N-dimethyl-2-[[[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-(propylamino)methylidene]amino]acetamide
CID 110036817
1-ethyl-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]urea
CID 130621364
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine
CID 110052532
1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-propylurea
CID 110359336
1,3-diethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 110916967
1-[2-(furan-2-yl)ethyl]-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-(1-phenylethyl)guanidine
CID 110053204
1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide
CID 111755861
2-[[(2-methoxyethylamino)-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110036815
2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188316
1-tert-butyl-2-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 119116124
1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 119162853

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1,3-diethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide (CID 110032971) is 1,3-diethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1,3-diethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1,3-diethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide is CCNC(=NCCC1(C)OCCO1)NCC.I.
What is the InChIKey of 1,3-diethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide?
The InChIKey is DXZXSPSYKDXGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2.HI/c1-4-12-10(13-5-2)14-7-6-11(3)15-8-9-16-11;/h4-9H2,1-3H3,(H2,12,13,14);1H.
What are the key properties of 1,3-diethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide?
1,3-diethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide has a molecular weight of 357.24 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 110032971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).