N-ethyl-1-(2-methyloxolan-3-yl)-2-(oxan-4-yl)ethanamine

C14H27NO2 — CID 115846966

IUPACN-ethyl-1-(2-methyloxolan-3-yl)-2-(oxan-4-yl)ethanamine
SMILESCCNC(CC1CCOCC1)C1CCOC1C
InChIInChI=1S/C14H27NO2/c1-3-15-14(13-6-9-17-11(13)2)10-12-4-7-16-8-5-12/h11-15H,3-10H2,1-2H3
InChIKeyLCQWQRVZYKMNBG-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.21
Rot. Bonds5

About N-ethyl-1-(2-methyloxolan-3-yl)-2-(oxan-4-yl)ethanamine

N-ethyl-1-(2-methyloxolan-3-yl)-2-(oxan-4-yl)ethanamine (PubChem CID 115846966) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-ethyl-1-(2-methyloxolan-3-yl)-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-methyloxolan-3-yl)-2-(oxan-4-yl)ethanamine
PubChem CID115846966
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-ethyl-1-(2-methyloxolan-3-yl)-2-(oxan-4-yl)ethanamine
SMILESCCNC(CC1CCOCC1)C1CCOC1C
InChIInChI=1S/C14H27NO2/c1-3-15-14(13-6-9-17-11(13)2)10-12-4-7-16-8-5-12/h11-15H,3-10H2,1-2H3
InChIKeyLCQWQRVZYKMNBG-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methyloxolan-3-yl)-2-(oxan-4-yl)ethanamine?
The IUPAC name of N-ethyl-1-(2-methyloxolan-3-yl)-2-(oxan-4-yl)ethanamine (CID 115846966) is N-ethyl-1-(2-methyloxolan-3-yl)-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-methyloxolan-3-yl)-2-(oxan-4-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-methyloxolan-3-yl)-2-(oxan-4-yl)ethanamine is CCNC(CC1CCOCC1)C1CCOC1C.
What is the InChIKey of N-ethyl-1-(2-methyloxolan-3-yl)-2-(oxan-4-yl)ethanamine?
The InChIKey is LCQWQRVZYKMNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-15-14(13-6-9-17-11(13)2)10-12-4-7-16-8-5-12/h11-15H,3-10H2,1-2H3.
What are the key properties of N-ethyl-1-(2-methyloxolan-3-yl)-2-(oxan-4-yl)ethanamine?
N-ethyl-1-(2-methyloxolan-3-yl)-2-(oxan-4-yl)ethanamine has a molecular weight of 241.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methyloxolan-3-yl)-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 115846966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).