[5-[(2-ethylcyclohexyl)oxymethyl]oxolan-2-yl]methanamine

C14H27NO2 — CID 55073069

IUPAC[5-[(2-ethylcyclohexyl)oxymethyl]oxolan-2-yl]methanamine
SMILESCCC1CCCCC1OCC1CCC(CN)O1
InChIInChI=1S/C14H27NO2/c1-2-11-5-3-4-6-14(11)16-10-13-8-7-12(9-15)17-13/h11-14H,2-10,15H2,1H3
InChIKeyQTCZLCAXSMWNJF-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.48
Rot. Bonds5

About [5-[(2-ethylcyclohexyl)oxymethyl]oxolan-2-yl]methanamine

[5-[(2-ethylcyclohexyl)oxymethyl]oxolan-2-yl]methanamine (PubChem CID 55073069) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is [5-[(2-ethylcyclohexyl)oxymethyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(2-ethylcyclohexyl)oxymethyl]oxolan-2-yl]methanamine
PubChem CID55073069
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name[5-[(2-ethylcyclohexyl)oxymethyl]oxolan-2-yl]methanamine
SMILESCCC1CCCCC1OCC1CCC(CN)O1
InChIInChI=1S/C14H27NO2/c1-2-11-5-3-4-6-14(11)16-10-13-8-7-12(9-15)17-13/h11-14H,2-10,15H2,1H3
InChIKeyQTCZLCAXSMWNJF-UHFFFAOYSA-N
XLogP2.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-ethylcyclohexyl)oxymethyl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[(2-ethylcyclohexyl)oxymethyl]oxolan-2-yl]methanamine (CID 55073069) is [5-[(2-ethylcyclohexyl)oxymethyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[(2-ethylcyclohexyl)oxymethyl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[(2-ethylcyclohexyl)oxymethyl]oxolan-2-yl]methanamine is CCC1CCCCC1OCC1CCC(CN)O1.
What is the InChIKey of [5-[(2-ethylcyclohexyl)oxymethyl]oxolan-2-yl]methanamine?
The InChIKey is QTCZLCAXSMWNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-11-5-3-4-6-14(11)16-10-13-8-7-12(9-15)17-13/h11-14H,2-10,15H2,1H3.
What are the key properties of [5-[(2-ethylcyclohexyl)oxymethyl]oxolan-2-yl]methanamine?
[5-[(2-ethylcyclohexyl)oxymethyl]oxolan-2-yl]methanamine has a molecular weight of 241.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-ethylcyclohexyl)oxymethyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 55073069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).