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

C14H27NO2 — CID 106654922

IUPAC2-(cyclohepten-1-yl)-4-(2-methoxyethylamino)butan-2-ol
SMILESCOCCNCCC(C)(O)C1=CCCCCC1
InChIInChI=1S/C14H27NO2/c1-14(16,9-10-15-11-12-17-2)13-7-5-3-4-6-8-13/h7,15-16H,3-6,8-12H2,1-2H3
InChIKeyMTEGAOJFKAGFMS-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.25
Rot. Bonds7

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

2-(cyclohepten-1-yl)-4-(2-methoxyethylamino)butan-2-ol (PubChem CID 106654922) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-(cyclohepten-1-yl)-4-(2-methoxyethylamino)butan-2-ol.

Molecular Properties

Compound Name2-(cyclohepten-1-yl)-4-(2-methoxyethylamino)butan-2-ol
PubChem CID106654922
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-(cyclohepten-1-yl)-4-(2-methoxyethylamino)butan-2-ol
SMILESCOCCNCCC(C)(O)C1=CCCCCC1
InChIInChI=1S/C14H27NO2/c1-14(16,9-10-15-11-12-17-2)13-7-5-3-4-6-8-13/h7,15-16H,3-6,8-12H2,1-2H3
InChIKeyMTEGAOJFKAGFMS-UHFFFAOYSA-N
XLogP2.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.25
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-(Cyclohepten-1-yl)piperidin-4-ol
CID 106650883
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
CID 106651594
1-(Cyclohepten-1-yl)-2-(ethylamino)ethanol
CID 106654883
1-(Cyclohepten-1-yl)-2-(propylamino)ethanol
CID 106654886
1-(Cyclohexen-1-yl)-2-(2-methoxyethylamino)ethanol
CID 106654900
1-(Cyclohepten-1-yl)-2-(2-methoxyethylamino)ethanol
CID 106654901
1-(Cycloocten-1-yl)-2-(2-methoxyethylamino)ethanol
CID 106654902

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohepten-1-yl)-4-(2-methoxyethylamino)butan-2-ol?
The IUPAC name of 2-(cyclohepten-1-yl)-4-(2-methoxyethylamino)butan-2-ol (CID 106654922) is 2-(cyclohepten-1-yl)-4-(2-methoxyethylamino)butan-2-ol.
What is the SMILES notation for 2-(cyclohepten-1-yl)-4-(2-methoxyethylamino)butan-2-ol?
The canonical SMILES for 2-(cyclohepten-1-yl)-4-(2-methoxyethylamino)butan-2-ol is COCCNCCC(C)(O)C1=CCCCCC1.
What is the InChIKey of 2-(cyclohepten-1-yl)-4-(2-methoxyethylamino)butan-2-ol?
The InChIKey is MTEGAOJFKAGFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-14(16,9-10-15-11-12-17-2)13-7-5-3-4-6-8-13/h7,15-16H,3-6,8-12H2,1-2H3.
What are the key properties of 2-(cyclohepten-1-yl)-4-(2-methoxyethylamino)butan-2-ol?
2-(cyclohepten-1-yl)-4-(2-methoxyethylamino)butan-2-ol has a molecular weight of 241.37 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohepten-1-yl)-4-(2-methoxyethylamino)butan-2-ol is sourced from PubChem (CID 106654922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).