2-(cyclohexen-1-yl)-4-(2-methoxyethylamino)butan-2-ol

C13H25NO2 — CID 106654921

IUPAC2-(cyclohexen-1-yl)-4-(2-methoxyethylamino)butan-2-ol
SMILESCOCCNCCC(C)(O)C1=CCCCC1
InChIInChI=1S/C13H25NO2/c1-13(15,8-9-14-10-11-16-2)12-6-4-3-5-7-12/h6,14-15H,3-5,7-11H2,1-2H3
InChIKeyAJZSZXNNJQKVRK-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.86
Rot. Bonds7

About 2-(cyclohexen-1-yl)-4-(2-methoxyethylamino)butan-2-ol

2-(cyclohexen-1-yl)-4-(2-methoxyethylamino)butan-2-ol (PubChem CID 106654921) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-4-(2-methoxyethylamino)butan-2-ol.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-4-(2-methoxyethylamino)butan-2-ol
PubChem CID106654921
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-(cyclohexen-1-yl)-4-(2-methoxyethylamino)butan-2-ol
SMILESCOCCNCCC(C)(O)C1=CCCCC1
InChIInChI=1S/C13H25NO2/c1-13(15,8-9-14-10-11-16-2)12-6-4-3-5-7-12/h6,14-15H,3-5,7-11H2,1-2H3
InChIKeyAJZSZXNNJQKVRK-UHFFFAOYSA-N
XLogP1.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Cycloocten-1-yl)piperidin-4-ol
CID 106650881
4-(Cyclohexen-1-yl)piperidin-4-ol
CID 106650882
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CID 106650883
3-(Cycloocten-1-yl)piperidin-3-ol
CID 106650906
3-(Cyclohexen-1-yl)piperidin-3-ol
CID 106650907
3-(Cyclohepten-1-yl)piperidin-3-ol
CID 106650908
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CID 106650909
3-(Cyclohexen-1-yl)pyrrolidin-3-ol
CID 106650910
3-(Cyclohepten-1-yl)pyrrolidin-3-ol
CID 106650911
2-(Cyclohexen-1-yl)-1-morpholin-3-ylpropan-2-ol
CID 106651593
2-(Cyclohepten-1-yl)-1-morpholin-3-ylpropan-2-ol
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1-(Cyclohexen-1-yl)-2-(ethylamino)ethanol
CID 106654882

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-4-(2-methoxyethylamino)butan-2-ol?
The IUPAC name of 2-(cyclohexen-1-yl)-4-(2-methoxyethylamino)butan-2-ol (CID 106654921) is 2-(cyclohexen-1-yl)-4-(2-methoxyethylamino)butan-2-ol.
What is the SMILES notation for 2-(cyclohexen-1-yl)-4-(2-methoxyethylamino)butan-2-ol?
The canonical SMILES for 2-(cyclohexen-1-yl)-4-(2-methoxyethylamino)butan-2-ol is COCCNCCC(C)(O)C1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-4-(2-methoxyethylamino)butan-2-ol?
The InChIKey is AJZSZXNNJQKVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(15,8-9-14-10-11-16-2)12-6-4-3-5-7-12/h6,14-15H,3-5,7-11H2,1-2H3.
What are the key properties of 2-(cyclohexen-1-yl)-4-(2-methoxyethylamino)butan-2-ol?
2-(cyclohexen-1-yl)-4-(2-methoxyethylamino)butan-2-ol has a molecular weight of 227.35 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-4-(2-methoxyethylamino)butan-2-ol is sourced from PubChem (CID 106654921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).