1-cyclopropyl-2-[(4-methoxyoxan-4-yl)methyl]-1-methylguanidine;hydroiodide

C12H24IN3O2 — CID 110031738

IUPAC1-cyclopropyl-2-[(4-methoxyoxan-4-yl)methyl]-1-methylguanidine;hydroiodide
SMILESCOC1(C/N=C(\N)N(C)C2CC2)CCOCC1.I
InChIInChI=1S/C12H23N3O2.HI/c1-15(10-3-4-10)11(13)14-9-12(16-2)5-7-17-8-6-12;/h10H,3-9H2,1-2H3,(H2,13,14);1H
InChIKeyOAUPOQVJWUVREE-UHFFFAOYSA-N
MW369.25 g/mol
LogP1.21
Rot. Bonds4

About 1-cyclopropyl-2-[(4-methoxyoxan-4-yl)methyl]-1-methylguanidine;hydroiodide

1-cyclopropyl-2-[(4-methoxyoxan-4-yl)methyl]-1-methylguanidine;hydroiodide (PubChem CID 110031738) has the molecular formula C12H24IN3O2 and a molecular weight of 369.25 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(4-methoxyoxan-4-yl)methyl]-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[(4-methoxyoxan-4-yl)methyl]-1-methylguanidine;hydroiodide
PubChem CID110031738
Molecular FormulaC12H24IN3O2
Molecular Weight369.25 g/mol
Exact Mass369.09
IUPAC Name1-cyclopropyl-2-[(4-methoxyoxan-4-yl)methyl]-1-methylguanidine;hydroiodide
SMILESCOC1(C/N=C(\N)N(C)C2CC2)CCOCC1.I
InChIInChI=1S/C12H23N3O2.HI/c1-15(10-3-4-10)11(13)14-9-12(16-2)5-7-17-8-6-12;/h10H,3-9H2,1-2H3,(H2,13,14);1H
InChIKeyOAUPOQVJWUVREE-UHFFFAOYSA-N
XLogP1.21
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
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-[(4-methoxyoxan-4-yl)methyl]-1-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[(4-methoxyoxan-4-yl)methyl]-1-methylguanidine;hydroiodide (CID 110031738) is 1-cyclopropyl-2-[(4-methoxyoxan-4-yl)methyl]-1-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[(4-methoxyoxan-4-yl)methyl]-1-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[(4-methoxyoxan-4-yl)methyl]-1-methylguanidine;hydroiodide is COC1(C/N=C(\N)N(C)C2CC2)CCOCC1.I.
What is the InChIKey of 1-cyclopropyl-2-[(4-methoxyoxan-4-yl)methyl]-1-methylguanidine;hydroiodide?
The InChIKey is OAUPOQVJWUVREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2.HI/c1-15(10-3-4-10)11(13)14-9-12(16-2)5-7-17-8-6-12;/h10H,3-9H2,1-2H3,(H2,13,14);1H.
What are the key properties of 1-cyclopropyl-2-[(4-methoxyoxan-4-yl)methyl]-1-methylguanidine;hydroiodide?
1-cyclopropyl-2-[(4-methoxyoxan-4-yl)methyl]-1-methylguanidine;hydroiodide has a molecular weight of 369.25 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(4-methoxyoxan-4-yl)methyl]-1-methylguanidine;hydroiodide is sourced from PubChem (CID 110031738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).