3-[(2-cyclohexylethylamino)methyl]oxolan-3-ol

C13H25NO2 — CID 103529150

IUPAC3-[(2-cyclohexylethylamino)methyl]oxolan-3-ol
SMILESOC1(CNCCC2CCCCC2)CCOC1
InChIInChI=1S/C13H25NO2/c15-13(7-9-16-11-13)10-14-8-6-12-4-2-1-3-5-12/h12,14-15H,1-11H2
InChIKeyQTYMNXQMTMMVFJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.70
Rot. Bonds5

About 3-[(2-cyclohexylethylamino)methyl]oxolan-3-ol

3-[(2-cyclohexylethylamino)methyl]oxolan-3-ol (PubChem CID 103529150) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[(2-cyclohexylethylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(2-cyclohexylethylamino)methyl]oxolan-3-ol
PubChem CID103529150
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-[(2-cyclohexylethylamino)methyl]oxolan-3-ol
SMILESOC1(CNCCC2CCCCC2)CCOC1
InChIInChI=1S/C13H25NO2/c15-13(7-9-16-11-13)10-14-8-6-12-4-2-1-3-5-12/h12,14-15H,1-11H2
InChIKeyQTYMNXQMTMMVFJ-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-cyclohexylethylamino)methyl]cyclobutan-1-ol
CID 115692767
3-[[2-(oxolan-2-yl)ethylamino]methyl]oxolan-3-ol
CID 106100567
2-cyclohexyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849536
3-[(2-hydroxyethylamino)methyl]oxolan-3-ol
CID 106100620
1-[[2-(oxolan-3-yl)ethylamino]methyl]cycloheptan-1-ol
CID 102672319
2-cyclobutyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849320
3-[(but-3-ynylamino)methyl]oxolan-3-ol
CID 106100602
2-cyclohexyl-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103529144
3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol
CID 106100705
3-[[(2-cyclohexylcyclohexyl)amino]methyl]oxolan-3-ol
CID 103904857
3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]oxolan-3-ol
CID 106100527
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclopentylethanamine
CID 115249593

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclohexylethylamino)methyl]oxolan-3-ol?
The IUPAC name of 3-[(2-cyclohexylethylamino)methyl]oxolan-3-ol (CID 103529150) is 3-[(2-cyclohexylethylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(2-cyclohexylethylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(2-cyclohexylethylamino)methyl]oxolan-3-ol is OC1(CNCCC2CCCCC2)CCOC1.
What is the InChIKey of 3-[(2-cyclohexylethylamino)methyl]oxolan-3-ol?
The InChIKey is QTYMNXQMTMMVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c15-13(7-9-16-11-13)10-14-8-6-12-4-2-1-3-5-12/h12,14-15H,1-11H2.
What are the key properties of 3-[(2-cyclohexylethylamino)methyl]oxolan-3-ol?
3-[(2-cyclohexylethylamino)methyl]oxolan-3-ol has a molecular weight of 227.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclohexylethylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 103529150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).