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

C10H20IN3O2 — CID 110032967

IUPAC1-cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide
SMILESCC1(CC/N=C(\N)NC2CC2)OCCO1.I
InChIInChI=1S/C10H19N3O2.HI/c1-10(14-6-7-15-10)4-5-12-9(11)13-8-2-3-8;/h8H,2-7H2,1H3,(H3,11,12,13);1H
InChIKeyHFGFMMGNFQHRTJ-UHFFFAOYSA-N
MW341.19 g/mol
LogP0.82
Rot. Bonds4

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

1-cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide (PubChem CID 110032967) has the molecular formula C10H20IN3O2 and a molecular weight of 341.19 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide
PubChem CID110032967
Molecular FormulaC10H20IN3O2
Molecular Weight341.19 g/mol
Exact Mass341.06
IUPAC Name1-cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide
SMILESCC1(CC/N=C(\N)NC2CC2)OCCO1.I
InChIInChI=1S/C10H19N3O2.HI/c1-10(14-6-7-15-10)4-5-12-9(11)13-8-2-3-8;/h8H,2-7H2,1H3,(H3,11,12,13);1H
InChIKeyHFGFMMGNFQHRTJ-UHFFFAOYSA-N
XLogP0.82
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 50.82
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide (CID 110032967) is 1-cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide is CC1(CC/N=C(\N)NC2CC2)OCCO1.I.
What is the InChIKey of 1-cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide?
The InChIKey is HFGFMMGNFQHRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2.HI/c1-10(14-6-7-15-10)4-5-12-9(11)13-8-2-3-8;/h8H,2-7H2,1H3,(H3,11,12,13);1H.
What are the key properties of 1-cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide?
1-cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide has a molecular weight of 341.19 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 110032967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).