1-cyclopropyl-2-[(4-hydroxyoxan-4-yl)methyl]guanidine;hydroiodide

C10H20IN3O2 — CID 119120840

IUPAC1-cyclopropyl-2-[(4-hydroxyoxan-4-yl)methyl]guanidine;hydroiodide
SMILESI.N/C(=N\CC1(O)CCOCC1)NC1CC1
InChIInChI=1S/C10H19N3O2.HI/c11-9(13-8-1-2-8)12-7-10(14)3-5-15-6-4-10;/h8,14H,1-7H2,(H3,11,12,13);1H
InChIKeyPHTVINFKTKWVDK-UHFFFAOYSA-N
MW341.19 g/mol
LogP0.21
Rot. Bonds3

About 1-cyclopropyl-2-[(4-hydroxyoxan-4-yl)methyl]guanidine;hydroiodide

1-cyclopropyl-2-[(4-hydroxyoxan-4-yl)methyl]guanidine;hydroiodide (PubChem CID 119120840) has the molecular formula C10H20IN3O2 and a molecular weight of 341.19 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(4-hydroxyoxan-4-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[(4-hydroxyoxan-4-yl)methyl]guanidine;hydroiodide
PubChem CID119120840
Molecular FormulaC10H20IN3O2
Molecular Weight341.19 g/mol
Exact Mass341.06
IUPAC Name1-cyclopropyl-2-[(4-hydroxyoxan-4-yl)methyl]guanidine;hydroiodide
SMILESI.N/C(=N\CC1(O)CCOCC1)NC1CC1
InChIInChI=1S/C10H19N3O2.HI/c11-9(13-8-1-2-8)12-7-10(14)3-5-15-6-4-10;/h8,14H,1-7H2,(H3,11,12,13);1H
InChIKeyPHTVINFKTKWVDK-UHFFFAOYSA-N
XLogP0.21
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 50.21
H-Bond Donors ≤ 53
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-hydroxyoxan-4-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[(4-hydroxyoxan-4-yl)methyl]guanidine;hydroiodide (CID 119120840) is 1-cyclopropyl-2-[(4-hydroxyoxan-4-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[(4-hydroxyoxan-4-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[(4-hydroxyoxan-4-yl)methyl]guanidine;hydroiodide is I.N/C(=N\CC1(O)CCOCC1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[(4-hydroxyoxan-4-yl)methyl]guanidine;hydroiodide?
The InChIKey is PHTVINFKTKWVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2.HI/c11-9(13-8-1-2-8)12-7-10(14)3-5-15-6-4-10;/h8,14H,1-7H2,(H3,11,12,13);1H.
What are the key properties of 1-cyclopropyl-2-[(4-hydroxyoxan-4-yl)methyl]guanidine;hydroiodide?
1-cyclopropyl-2-[(4-hydroxyoxan-4-yl)methyl]guanidine;hydroiodide has a molecular weight of 341.19 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(4-hydroxyoxan-4-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 119120840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).