3-[(cyclohex-2-en-1-ylamino)methyl]oxolan-3-ol

C11H19NO2 — CID 106100723

IUPAC3-[(cyclohex-2-en-1-ylamino)methyl]oxolan-3-ol
SMILESOC1(CNC2C=CCCC2)CCOC1
InChIInChI=1S/C11H19NO2/c13-11(6-7-14-9-11)8-12-10-4-2-1-3-5-10/h2,4,10,12-13H,1,3,5-9H2
InChIKeyGJIIDUOLXOSVAP-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.84
Rot. Bonds3

About 3-[(cyclohex-2-en-1-ylamino)methyl]oxolan-3-ol

3-[(cyclohex-2-en-1-ylamino)methyl]oxolan-3-ol (PubChem CID 106100723) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-[(cyclohex-2-en-1-ylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(cyclohex-2-en-1-ylamino)methyl]oxolan-3-ol
PubChem CID106100723
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-[(cyclohex-2-en-1-ylamino)methyl]oxolan-3-ol
SMILESOC1(CNC2C=CCCC2)CCOC1
InChIInChI=1S/C11H19NO2/c13-11(6-7-14-9-11)8-12-10-4-2-1-3-5-10/h2,4,10,12-13H,1,3,5-9H2
InChIKeyGJIIDUOLXOSVAP-UHFFFAOYSA-N
XLogP0.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Cyclohex-3-en-1-ylmethylamino)oxolan-3-ol
CID 61950365
4-[2-(Cyclohexen-1-yl)ethylamino]oxolan-3-ol
CID 62325082
4-(Cyclohex-3-en-1-ylamino)oxolan-3-ol
CID 65701715
3-[(Hex-5-en-2-ylamino)methyl]oxolan-3-ol
CID 104583578
3-[(6-Bicyclo[3.2.0]hept-3-enylamino)methyl]oxolan-3-ol
CID 106099972
3-[[(3,5-Dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxolan-3-ol
CID 106100048
3-[(But-3-en-2-ylamino)methyl]oxolan-3-ol
CID 106100471
3-[(Hept-6-enylamino)methyl]oxolan-3-ol
CID 106100473
3-[(Pent-4-enylamino)methyl]oxolan-3-ol
CID 106100681
3-[(But-3-en-2-ylamino)methyl]-2-methyloxolan-3-ol
CID 106100945
3-[(Hept-6-enylamino)methyl]-2-methyloxolan-3-ol
CID 106100947
3-[(Cyclohex-2-en-1-ylamino)methyl]-2-methyloxolan-3-ol
CID 106101179

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclohex-2-en-1-ylamino)methyl]oxolan-3-ol?
The IUPAC name of 3-[(cyclohex-2-en-1-ylamino)methyl]oxolan-3-ol (CID 106100723) is 3-[(cyclohex-2-en-1-ylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(cyclohex-2-en-1-ylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(cyclohex-2-en-1-ylamino)methyl]oxolan-3-ol is OC1(CNC2C=CCCC2)CCOC1.
What is the InChIKey of 3-[(cyclohex-2-en-1-ylamino)methyl]oxolan-3-ol?
The InChIKey is GJIIDUOLXOSVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-11(6-7-14-9-11)8-12-10-4-2-1-3-5-10/h2,4,10,12-13H,1,3,5-9H2.
What are the key properties of 3-[(cyclohex-2-en-1-ylamino)methyl]oxolan-3-ol?
3-[(cyclohex-2-en-1-ylamino)methyl]oxolan-3-ol has a molecular weight of 197.28 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclohex-2-en-1-ylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 106100723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).