2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]ethanamine

C11H22N2O2 — CID 114411032

IUPAC2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]ethanamine
SMILESCOCC1=CCN(CCOCCN)CC1
InChIInChI=1S/C11H22N2O2/c1-14-10-11-2-5-13(6-3-11)7-9-15-8-4-12/h2H,3-10,12H2,1H3
InChIKeyRMWYWOYQTSXCSX-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.24
Rot. Bonds7

About 2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]ethanamine

2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]ethanamine (PubChem CID 114411032) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]ethanamine
PubChem CID114411032
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]ethanamine
SMILESCOCC1=CCN(CCOCCN)CC1
InChIInChI=1S/C11H22N2O2/c1-14-10-11-2-5-13(6-3-11)7-9-15-8-4-12/h2H,3-10,12H2,1H3
InChIKeyRMWYWOYQTSXCSX-UHFFFAOYSA-N
XLogP0.24
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methoxymethanamine
CID 20756947
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
N-(2-methoxyethyl)-4-methyl-5-propoxypent-3-en-1-amine
CID 79607074
5-ethoxy-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 79607235
2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]ethanamine
CID 82364103
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716253
4-(Propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716602
4-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine
CID 102657075
2-methoxy-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 103152788
4-[2-(3-Methoxypropoxy)ethoxymethyl]-1,2,3,6-tetrahydropyridine
CID 103178000
N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]cyclopropanamine
CID 103227335
N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine
CID 103227336

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]ethanamine?
The IUPAC name of 2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]ethanamine (CID 114411032) is 2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]ethanamine is COCC1=CCN(CCOCCN)CC1.
What is the InChIKey of 2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]ethanamine?
The InChIKey is RMWYWOYQTSXCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-14-10-11-2-5-13(6-3-11)7-9-15-8-4-12/h2H,3-10,12H2,1H3.
What are the key properties of 2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]ethanamine?
2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]ethanamine has a molecular weight of 214.31 g/mol, XLogP of 0.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]ethanamine is sourced from PubChem (CID 114411032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).