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

C11H21N3O2 — CID 103847252

IUPAC1-cyclopentyl-2-[(3-hydroxyoxolan-3-yl)methyl]guanidine
SMILESN/C(=N\CC1(O)CCOC1)NC1CCCC1
InChIInChI=1S/C11H21N3O2/c12-10(14-9-3-1-2-4-9)13-7-11(15)5-6-16-8-11/h9,15H,1-8H2,(H3,12,13,14)
InChIKeyKIJYSWHHQMXZAA-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.02
Rot. Bonds3

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

1-cyclopentyl-2-[(3-hydroxyoxolan-3-yl)methyl]guanidine (PubChem CID 103847252) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-cyclopentyl-2-[(3-hydroxyoxolan-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[(3-hydroxyoxolan-3-yl)methyl]guanidine
PubChem CID103847252
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-cyclopentyl-2-[(3-hydroxyoxolan-3-yl)methyl]guanidine
SMILESN/C(=N\CC1(O)CCOC1)NC1CCCC1
InChIInChI=1S/C11H21N3O2/c12-10(14-9-3-1-2-4-9)13-7-11(15)5-6-16-8-11/h9,15H,1-8H2,(H3,12,13,14)
InChIKeyKIJYSWHHQMXZAA-UHFFFAOYSA-N
XLogP-0.02
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.02
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-hydroxyoxolan-3-yl)methyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[(3-hydroxyoxolan-3-yl)methyl]guanidine (CID 103847252) is 1-cyclopentyl-2-[(3-hydroxyoxolan-3-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[(3-hydroxyoxolan-3-yl)methyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[(3-hydroxyoxolan-3-yl)methyl]guanidine is N/C(=N\CC1(O)CCOC1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[(3-hydroxyoxolan-3-yl)methyl]guanidine?
The InChIKey is KIJYSWHHQMXZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c12-10(14-9-3-1-2-4-9)13-7-11(15)5-6-16-8-11/h9,15H,1-8H2,(H3,12,13,14).
What are the key properties of 1-cyclopentyl-2-[(3-hydroxyoxolan-3-yl)methyl]guanidine?
1-cyclopentyl-2-[(3-hydroxyoxolan-3-yl)methyl]guanidine has a molecular weight of 227.31 g/mol, XLogP of -0.02, 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-hydroxyoxolan-3-yl)methyl]guanidine is sourced from PubChem (CID 103847252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).