2-[5-(2-cyclohexylethyl)oxolan-2-yl]ethanamine

C14H27NO — CID 11701358

IUPAC2-[5-(2-cyclohexylethyl)oxolan-2-yl]ethanamine
SMILESNCCC1CCC(CCC2CCCCC2)O1
InChIInChI=1S/C14H27NO/c15-11-10-14-9-8-13(16-14)7-6-12-4-2-1-3-5-12/h12-14H,1-11,15H2
InChIKeyQPUZISQUAKALAF-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.24
Rot. Bonds5

About 2-[5-(2-cyclohexylethyl)oxolan-2-yl]ethanamine

2-[5-(2-cyclohexylethyl)oxolan-2-yl]ethanamine (PubChem CID 11701358) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[5-(2-cyclohexylethyl)oxolan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-cyclohexylethyl)oxolan-2-yl]ethanamine
PubChem CID11701358
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-[5-(2-cyclohexylethyl)oxolan-2-yl]ethanamine
SMILESNCCC1CCC(CCC2CCCCC2)O1
InChIInChI=1S/C14H27NO/c15-11-10-14-9-8-13(16-14)7-6-12-4-2-1-3-5-12/h12-14H,1-11,15H2
InChIKeyQPUZISQUAKALAF-UHFFFAOYSA-N
XLogP3.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-cyclohexylethyl)oxolan-2-yl]ethanamine?
The IUPAC name of 2-[5-(2-cyclohexylethyl)oxolan-2-yl]ethanamine (CID 11701358) is 2-[5-(2-cyclohexylethyl)oxolan-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-cyclohexylethyl)oxolan-2-yl]ethanamine?
The canonical SMILES for 2-[5-(2-cyclohexylethyl)oxolan-2-yl]ethanamine is NCCC1CCC(CCC2CCCCC2)O1.
What is the InChIKey of 2-[5-(2-cyclohexylethyl)oxolan-2-yl]ethanamine?
The InChIKey is QPUZISQUAKALAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c15-11-10-14-9-8-13(16-14)7-6-12-4-2-1-3-5-12/h12-14H,1-11,15H2.
What are the key properties of 2-[5-(2-cyclohexylethyl)oxolan-2-yl]ethanamine?
2-[5-(2-cyclohexylethyl)oxolan-2-yl]ethanamine has a molecular weight of 225.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-cyclohexylethyl)oxolan-2-yl]ethanamine is sourced from PubChem (CID 11701358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).