3-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methyloxolan-3-ol

C13H23NO2 — CID 107268317

IUPAC3-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNCC1CC=CCC1
InChIInChI=1S/C13H23NO2/c1-11-13(15,7-8-16-11)10-14-9-12-5-3-2-4-6-12/h2-3,11-12,14-15H,4-10H2,1H3
InChIKeyXMNHIWSZSODZPO-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.47
Rot. Bonds4

About 3-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methyloxolan-3-ol

3-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methyloxolan-3-ol (PubChem CID 107268317) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methyloxolan-3-ol
PubChem CID107268317
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name3-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNCC1CC=CCC1
InChIInChI=1S/C13H23NO2/c1-11-13(15,7-8-16-11)10-14-9-12-5-3-2-4-6-12/h2-3,11-12,14-15H,4-10H2,1H3
InChIKeyXMNHIWSZSODZPO-UHFFFAOYSA-N
XLogP1.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methyloxolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methyloxolan-3-ol (CID 107268317) is 3-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNCC1CC=CCC1.
What is the InChIKey of 3-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methyloxolan-3-ol?
The InChIKey is XMNHIWSZSODZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-11-13(15,7-8-16-11)10-14-9-12-5-3-2-4-6-12/h2-3,11-12,14-15H,4-10H2,1H3.
What are the key properties of 3-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methyloxolan-3-ol?
3-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methyloxolan-3-ol has a molecular weight of 225.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 107268317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).