3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxolan-3-ol

C14H25NO2 — CID 106100048

IUPAC3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxolan-3-ol
SMILESCC1=CC(C)CC(CNCC2(O)CCOC2)C1
InChIInChI=1S/C14H25NO2/c1-11-5-12(2)7-13(6-11)8-15-9-14(16)3-4-17-10-14/h5,11,13,15-16H,3-4,6-10H2,1-2H3
InChIKeyXABBKRYMHLMVBF-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.72
Rot. Bonds4

About 3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxolan-3-ol

3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxolan-3-ol (PubChem CID 106100048) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxolan-3-ol
PubChem CID106100048
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxolan-3-ol
SMILESCC1=CC(C)CC(CNCC2(O)CCOC2)C1
InChIInChI=1S/C14H25NO2/c1-11-5-12(2)7-13(6-11)8-15-9-14(16)3-4-17-10-14/h5,11,13,15-16H,3-4,6-10H2,1-2H3
InChIKeyXABBKRYMHLMVBF-UHFFFAOYSA-N
XLogP1.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxolan-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-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxolan-3-ol (CID 106100048) is 3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxolan-3-ol is CC1=CC(C)CC(CNCC2(O)CCOC2)C1.
What is the InChIKey of 3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxolan-3-ol?
The InChIKey is XABBKRYMHLMVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11-5-12(2)7-13(6-11)8-15-9-14(16)3-4-17-10-14/h5,11,13,15-16H,3-4,6-10H2,1-2H3.
What are the key properties of 3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxolan-3-ol?
3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxolan-3-ol has a molecular weight of 239.36 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 106100048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).