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

C11H22IN3O2 — CID 110032977

IUPAC1-cyclopropyl-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide
SMILESC/N=C(/NCCC1(C)OCCO1)NC1CC1.I
InChIInChI=1S/C11H21N3O2.HI/c1-11(15-7-8-16-11)5-6-13-10(12-2)14-9-3-4-9;/h9H,3-8H2,1-2H3,(H2,12,13,14);1H
InChIKeyBDVZJUWMZOMLKD-UHFFFAOYSA-N
MW355.22 g/mol
LogP1.08
Rot. Bonds4

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

1-cyclopropyl-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide (PubChem CID 110032977) has the molecular formula C11H22IN3O2 and a molecular weight of 355.22 g/mol. Its IUPAC name is 1-cyclopropyl-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide
PubChem CID110032977
Molecular FormulaC11H22IN3O2
Molecular Weight355.22 g/mol
Exact Mass355.08
IUPAC Name1-cyclopropyl-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide
SMILESC/N=C(/NCCC1(C)OCCO1)NC1CC1.I
InChIInChI=1S/C11H21N3O2.HI/c1-11(15-7-8-16-11)5-6-13-10(12-2)14-9-3-4-9;/h9H,3-8H2,1-2H3,(H2,12,13,14);1H
InChIKeyBDVZJUWMZOMLKD-UHFFFAOYSA-N
XLogP1.08
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 51.08
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-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide (CID 110032977) is 1-cyclopropyl-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide is C/N=C(/NCCC1(C)OCCO1)NC1CC1.I.
What is the InChIKey of 1-cyclopropyl-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide?
The InChIKey is BDVZJUWMZOMLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2.HI/c1-11(15-7-8-16-11)5-6-13-10(12-2)14-9-3-4-9;/h9H,3-8H2,1-2H3,(H2,12,13,14);1H.
What are the key properties of 1-cyclopropyl-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide?
1-cyclopropyl-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide has a molecular weight of 355.22 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 110032977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).