4-[2-(cyclohexen-1-yl)ethylamino]oxolan-3-ol

C12H21NO2 — CID 62325082

IUPAC4-[2-(cyclohexen-1-yl)ethylamino]oxolan-3-ol
SMILESOC1COCC1NCCC1=CCCCC1
InChIInChI=1S/C12H21NO2/c14-12-9-15-8-11(12)13-7-6-10-4-2-1-3-5-10/h4,11-14H,1-3,5-9H2
InChIKeyALXZYCALAHJXAZ-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.23
Rot. Bonds4

About 4-[2-(cyclohexen-1-yl)ethylamino]oxolan-3-ol

4-[2-(cyclohexen-1-yl)ethylamino]oxolan-3-ol (PubChem CID 62325082) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 4-[2-(cyclohexen-1-yl)ethylamino]oxolan-3-ol.

Molecular Properties

Compound Name4-[2-(cyclohexen-1-yl)ethylamino]oxolan-3-ol
PubChem CID62325082
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name4-[2-(cyclohexen-1-yl)ethylamino]oxolan-3-ol
SMILESOC1COCC1NCCC1=CCCCC1
InChIInChI=1S/C12H21NO2/c14-12-9-15-8-11(12)13-7-6-10-4-2-1-3-5-10/h4,11-14H,1-3,5-9H2
InChIKeyALXZYCALAHJXAZ-UHFFFAOYSA-N
XLogP1.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.23
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

(4Z)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol
CID 118865753
(4Z,8S)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol
CID 118891614
(4E,8S)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol
CID 118891615
(1S,4Z,8S)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol
CID 130333488
(1S,4E,8S)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol
CID 130341008
8-[2-(2-Hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol
CID 173621945
1-[2-(Cyclohexen-1-yl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 55021478
1-[2-(Cyclohexen-1-yl)ethylamino]-3-(2-methylpropoxy)propan-2-ol
CID 55021504
[2-(Cyclohex-1-en-1-yl)ethyl][3-(2-ethoxyethoxy)-2-hydroxypropyl]amine
CID 60634286
[2-(Cyclohex-1-en-1-yl)ethyl][3-(cyclopentyloxy)-2-hydroxypropyl]amine
CID 60634312
1-[2-(Cyclohexen-1-yl)ethylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60634541
1-(2-Butoxyethoxy)-3-[2-(cyclohexen-1-yl)ethylamino]propan-2-ol
CID 60634543

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexen-1-yl)ethylamino]oxolan-3-ol?
The IUPAC name of 4-[2-(cyclohexen-1-yl)ethylamino]oxolan-3-ol (CID 62325082) is 4-[2-(cyclohexen-1-yl)ethylamino]oxolan-3-ol.
What is the SMILES notation for 4-[2-(cyclohexen-1-yl)ethylamino]oxolan-3-ol?
The canonical SMILES for 4-[2-(cyclohexen-1-yl)ethylamino]oxolan-3-ol is OC1COCC1NCCC1=CCCCC1.
What is the InChIKey of 4-[2-(cyclohexen-1-yl)ethylamino]oxolan-3-ol?
The InChIKey is ALXZYCALAHJXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-12-9-15-8-11(12)13-7-6-10-4-2-1-3-5-10/h4,11-14H,1-3,5-9H2.
What are the key properties of 4-[2-(cyclohexen-1-yl)ethylamino]oxolan-3-ol?
4-[2-(cyclohexen-1-yl)ethylamino]oxolan-3-ol has a molecular weight of 211.30 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexen-1-yl)ethylamino]oxolan-3-ol is sourced from PubChem (CID 62325082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).