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

C15H30IN3O — CID 109382593

IUPAC2-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide
SMILESCCCC1CC1N/C(=N/CC)N(C)CC1CCOC1.I
InChIInChI=1S/C15H29N3O.HI/c1-4-6-13-9-14(13)17-15(16-5-2)18(3)10-12-7-8-19-11-12;/h12-14H,4-11H2,1-3H3,(H,16,17);1H
InChIKeyMWNJTYQHDCDRTD-UHFFFAOYSA-N
MW395.33 g/mol
LogP2.73
Rot. Bonds6

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

2-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide (PubChem CID 109382593) has the molecular formula C15H30IN3O and a molecular weight of 395.33 g/mol. Its IUPAC name is 2-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide
PubChem CID109382593
Molecular FormulaC15H30IN3O
Molecular Weight395.33 g/mol
Exact Mass395.14
IUPAC Name2-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide
SMILESCCCC1CC1N/C(=N/CC)N(C)CC1CCOC1.I
InChIInChI=1S/C15H29N3O.HI/c1-4-6-13-9-14(13)17-15(16-5-2)18(3)10-12-7-8-19-11-12;/h12-14H,4-11H2,1-3H3,(H,16,17);1H
InChIKeyMWNJTYQHDCDRTD-UHFFFAOYSA-N
XLogP2.73
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 52.73
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-3-(2-methylcyclopropyl)-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109384235
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
2-(2-cyclopropylethyl)-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109381799
3-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-2-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109385481
2-butyl-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109383682
2-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine
CID 109407529
2-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide
CID 109421775
3-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109383389
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
1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine;hydroiodide
CID 109382237

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide?
The IUPAC name of 2-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide (CID 109382593) is 2-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide?
The canonical SMILES for 2-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide is CCCC1CC1N/C(=N/CC)N(C)CC1CCOC1.I.
What is the InChIKey of 2-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide?
The InChIKey is MWNJTYQHDCDRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.HI/c1-4-6-13-9-14(13)17-15(16-5-2)18(3)10-12-7-8-19-11-12;/h12-14H,4-11H2,1-3H3,(H,16,17);1H.
What are the key properties of 2-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide?
2-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide has a molecular weight of 395.33 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide is sourced from PubChem (CID 109382593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).