1-cyclopentyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine

C12H23N3O2 — CID 107265856

IUPAC1-cyclopentyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine
SMILESCC1OCCC1(O)C/N=C(\N)NC1CCCC1
InChIInChI=1S/C12H23N3O2/c1-9-12(16,6-7-17-9)8-14-11(13)15-10-4-2-3-5-10/h9-10,16H,2-8H2,1H3,(H3,13,14,15)
InChIKeyXYHYKDQMYNXMDF-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.37
Rot. Bonds3

About 1-cyclopentyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine

1-cyclopentyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine (PubChem CID 107265856) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-cyclopentyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine
PubChem CID107265856
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-cyclopentyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine
SMILESCC1OCCC1(O)C/N=C(\N)NC1CCCC1
InChIInChI=1S/C12H23N3O2/c1-9-12(16,6-7-17-9)8-14-11(13)15-10-4-2-3-5-10/h9-10,16H,2-8H2,1H3,(H3,13,14,15)
InChIKeyXYHYKDQMYNXMDF-UHFFFAOYSA-N
XLogP0.37
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.37
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine (CID 107265856) is 1-cyclopentyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine is CC1OCCC1(O)C/N=C(\N)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine?
The InChIKey is XYHYKDQMYNXMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9-12(16,6-7-17-9)8-14-11(13)15-10-4-2-3-5-10/h9-10,16H,2-8H2,1H3,(H3,13,14,15).
What are the key properties of 1-cyclopentyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine?
1-cyclopentyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine has a molecular weight of 241.33 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine is sourced from PubChem (CID 107265856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).