2-ethyl-1-methyl-3-(2-methylcyclopropyl)-1-(oxolan-3-ylmethyl)guanidine;hydroiodide

C13H26IN3O — CID 109384235

IUPAC2-ethyl-1-methyl-3-(2-methylcyclopropyl)-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
SMILESCC/N=C(/NC1CC1C)N(C)CC1CCOC1.I
InChIInChI=1S/C13H25N3O.HI/c1-4-14-13(15-12-7-10(12)2)16(3)8-11-5-6-17-9-11;/h10-12H,4-9H2,1-3H3,(H,14,15);1H
InChIKeyVBOQHENROICPAG-UHFFFAOYSA-N
MW367.28 g/mol
LogP1.95
Rot. Bonds4

About 2-ethyl-1-methyl-3-(2-methylcyclopropyl)-1-(oxolan-3-ylmethyl)guanidine;hydroiodide

2-ethyl-1-methyl-3-(2-methylcyclopropyl)-1-(oxolan-3-ylmethyl)guanidine;hydroiodide (PubChem CID 109384235) has the molecular formula C13H26IN3O and a molecular weight of 367.28 g/mol. Its IUPAC name is 2-ethyl-1-methyl-3-(2-methylcyclopropyl)-1-(oxolan-3-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-ethyl-1-methyl-3-(2-methylcyclopropyl)-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
PubChem CID109384235
Molecular FormulaC13H26IN3O
Molecular Weight367.28 g/mol
Exact Mass367.11
IUPAC Name2-ethyl-1-methyl-3-(2-methylcyclopropyl)-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
SMILESCC/N=C(/NC1CC1C)N(C)CC1CCOC1.I
InChIInChI=1S/C13H25N3O.HI/c1-4-14-13(15-12-7-10(12)2)16(3)8-11-5-6-17-9-11;/h10-12H,4-9H2,1-3H3,(H,14,15);1H
InChIKeyVBOQHENROICPAG-UHFFFAOYSA-N
XLogP1.95
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide
CID 109382593
1,2-dimethyl-3-(2-methylcyclopropyl)-1-(oxolan-3-ylmethyl)guanidine
CID 109381536
3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109386124
3-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-2-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109385481
2-(2-cyclopropylethyl)-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109381799
3-ethyl-1-methyl-2-[(2-methylcyclohexyl)methyl]-1-(oxolan-3-ylmethyl)guanidine
CID 109383614
2-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine
CID 109407529
2-butyl-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109383682
3-ethyl-2-[(4-ethylcyclohexyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386185
2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109385730
2-(3-ethoxypropyl)-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109383707
2-[7-(dimethylamino)heptyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109385719

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-3-(2-methylcyclopropyl)-1-(oxolan-3-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 2-ethyl-1-methyl-3-(2-methylcyclopropyl)-1-(oxolan-3-ylmethyl)guanidine;hydroiodide (CID 109384235) is 2-ethyl-1-methyl-3-(2-methylcyclopropyl)-1-(oxolan-3-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-ethyl-1-methyl-3-(2-methylcyclopropyl)-1-(oxolan-3-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 2-ethyl-1-methyl-3-(2-methylcyclopropyl)-1-(oxolan-3-ylmethyl)guanidine;hydroiodide is CC/N=C(/NC1CC1C)N(C)CC1CCOC1.I.
What is the InChIKey of 2-ethyl-1-methyl-3-(2-methylcyclopropyl)-1-(oxolan-3-ylmethyl)guanidine;hydroiodide?
The InChIKey is VBOQHENROICPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.HI/c1-4-14-13(15-12-7-10(12)2)16(3)8-11-5-6-17-9-11;/h10-12H,4-9H2,1-3H3,(H,14,15);1H.
What are the key properties of 2-ethyl-1-methyl-3-(2-methylcyclopropyl)-1-(oxolan-3-ylmethyl)guanidine;hydroiodide?
2-ethyl-1-methyl-3-(2-methylcyclopropyl)-1-(oxolan-3-ylmethyl)guanidine;hydroiodide has a molecular weight of 367.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-3-(2-methylcyclopropyl)-1-(oxolan-3-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 109384235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).