N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]ethanamine

C13H26N2O2 — CID 63740455

IUPACN-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCOCC2)CCCOC1
InChIInChI=1S/C13H26N2O2/c1-2-14-10-13(4-3-7-17-12-13)11-15-5-8-16-9-6-15/h14H,2-12H2,1H3
InChIKeyLPXINDRQBVJGGQ-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.72
Rot. Bonds5

About N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]ethanamine

N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]ethanamine (PubChem CID 63740455) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]ethanamine
PubChem CID63740455
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCOCC2)CCCOC1
InChIInChI=1S/C13H26N2O2/c1-2-14-10-13(4-3-7-17-12-13)11-15-5-8-16-9-6-15/h14H,2-12H2,1H3
InChIKeyLPXINDRQBVJGGQ-UHFFFAOYSA-N
XLogP0.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]ethanamine (CID 63740455) is N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]ethanamine is CCNCC1(CN2CCOCC2)CCCOC1.
What is the InChIKey of N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]ethanamine?
The InChIKey is LPXINDRQBVJGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-14-10-13(4-3-7-17-12-13)11-15-5-8-16-9-6-15/h14H,2-12H2,1H3.
What are the key properties of N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]ethanamine?
N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]ethanamine has a molecular weight of 242.36 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]ethanamine is sourced from PubChem (CID 63740455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).