1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine

C14H27NO2 — CID 113448631

IUPAC1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine
SMILESCCNC(COC1CCOCC1)C1CCCC1
InChIInChI=1S/C14H27NO2/c1-2-15-14(12-5-3-4-6-12)11-17-13-7-9-16-10-8-13/h12-15H,2-11H2,1H3
InChIKeyHKGDFQSJOPXNST-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.35
Rot. Bonds6

About 1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine

1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine (PubChem CID 113448631) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine
PubChem CID113448631
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine
SMILESCCNC(COC1CCOCC1)C1CCCC1
InChIInChI=1S/C14H27NO2/c1-2-15-14(12-5-3-4-6-12)11-17-13-7-9-16-10-8-13/h12-15H,2-11H2,1H3
InChIKeyHKGDFQSJOPXNST-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine?
The IUPAC name of 1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine (CID 113448631) is 1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine.
What is the SMILES notation for 1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine?
The canonical SMILES for 1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine is CCNC(COC1CCOCC1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine?
The InChIKey is HKGDFQSJOPXNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-15-14(12-5-3-4-6-12)11-17-13-7-9-16-10-8-13/h12-15H,2-11H2,1H3.
What are the key properties of 1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine?
1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine has a molecular weight of 241.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine is sourced from PubChem (CID 113448631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).