N-[[4-(methoxymethyl)oxan-4-yl]methyl]ethanamine

C10H21NO2 — CID 103984672

IUPACN-[[4-(methoxymethyl)oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(COC)CCOCC1
InChIInChI=1S/C10H21NO2/c1-3-11-8-10(9-12-2)4-6-13-7-5-10/h11H,3-9H2,1-2H3
InChIKeyMDVQDADVSWLXJX-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.04
Rot. Bonds5

About N-[[4-(methoxymethyl)oxan-4-yl]methyl]ethanamine

N-[[4-(methoxymethyl)oxan-4-yl]methyl]ethanamine (PubChem CID 103984672) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)oxan-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)oxan-4-yl]methyl]ethanamine
PubChem CID103984672
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-[[4-(methoxymethyl)oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(COC)CCOCC1
InChIInChI=1S/C10H21NO2/c1-3-11-8-10(9-12-2)4-6-13-7-5-10/h11H,3-9H2,1-2H3
InChIKeyMDVQDADVSWLXJX-UHFFFAOYSA-N
XLogP1.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)oxan-4-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(methoxymethyl)oxan-4-yl]methyl]ethanamine (CID 103984672) is N-[[4-(methoxymethyl)oxan-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(methoxymethyl)oxan-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(methoxymethyl)oxan-4-yl]methyl]ethanamine is CCNCC1(COC)CCOCC1.
What is the InChIKey of N-[[4-(methoxymethyl)oxan-4-yl]methyl]ethanamine?
The InChIKey is MDVQDADVSWLXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-11-8-10(9-12-2)4-6-13-7-5-10/h11H,3-9H2,1-2H3.
What are the key properties of N-[[4-(methoxymethyl)oxan-4-yl]methyl]ethanamine?
N-[[4-(methoxymethyl)oxan-4-yl]methyl]ethanamine has a molecular weight of 187.28 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)oxan-4-yl]methyl]ethanamine is sourced from PubChem (CID 103984672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).