2-[2-(2-cycloheptylazepan-1-yl)ethoxy]ethanol

C17H33NO2 — CID 152713199

IUPAC2-[2-(2-cycloheptylazepan-1-yl)ethoxy]ethanol
SMILESOCCOCCN1CCCCCC1C1CCCCCC1
InChIInChI=1S/C17H33NO2/c19-13-15-20-14-12-18-11-7-3-6-10-17(18)16-8-4-1-2-5-9-16/h16-17,19H,1-15H2
InChIKeyZUAUSXAMXIRBKJ-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.21
Rot. Bonds6

About 2-[2-(2-cycloheptylazepan-1-yl)ethoxy]ethanol

2-[2-(2-cycloheptylazepan-1-yl)ethoxy]ethanol (PubChem CID 152713199) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-[2-(2-cycloheptylazepan-1-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-cycloheptylazepan-1-yl)ethoxy]ethanol
PubChem CID152713199
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2-[2-(2-cycloheptylazepan-1-yl)ethoxy]ethanol
SMILESOCCOCCN1CCCCCC1C1CCCCCC1
InChIInChI=1S/C17H33NO2/c19-13-15-20-14-12-18-11-7-3-6-10-17(18)16-8-4-1-2-5-9-16/h16-17,19H,1-15H2
InChIKeyZUAUSXAMXIRBKJ-UHFFFAOYSA-N
XLogP3.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one
CID 79553801
benzene;2-[(2R)-2-cyclohexylpyrrolidin-1-yl]ethanol
CID 143494141
2-[2-(8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethoxy]ethanol
CID 75372902
2-[2-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethoxy]ethanol
CID 129421243
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propan-1-ol
CID 65319985
1-[2-(2-hydroxyethoxy)ethyl]-N-methylpiperidine-2-carboxamide
CID 111439529
(3aR,7aR)-1-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 130723594
1-(2-methoxyethyl)-2-piperidin-4-ylazepane
CID 64851835
ethyl 1-[2-(2-hydroxyethoxy)ethyl]piperidine-2-carboxylate
CID 78994229
1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 14482400
3-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)propan-1-ol
CID 130620337
3-[(2S)-2-cyclohexylpyrrolidin-1-yl]propanoic acid
CID 42576565

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-cycloheptylazepan-1-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-cycloheptylazepan-1-yl)ethoxy]ethanol (CID 152713199) is 2-[2-(2-cycloheptylazepan-1-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-cycloheptylazepan-1-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-cycloheptylazepan-1-yl)ethoxy]ethanol is OCCOCCN1CCCCCC1C1CCCCCC1.
What is the InChIKey of 2-[2-(2-cycloheptylazepan-1-yl)ethoxy]ethanol?
The InChIKey is ZUAUSXAMXIRBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c19-13-15-20-14-12-18-11-7-3-6-10-17(18)16-8-4-1-2-5-9-16/h16-17,19H,1-15H2.
What are the key properties of 2-[2-(2-cycloheptylazepan-1-yl)ethoxy]ethanol?
2-[2-(2-cycloheptylazepan-1-yl)ethoxy]ethanol has a molecular weight of 283.46 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-cycloheptylazepan-1-yl)ethoxy]ethanol is sourced from PubChem (CID 152713199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).