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

C12H24N2O2 — CID 114411070

IUPACN-(2-methoxyethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
SMILESCOCCNCCN1CC=C(COC)CC1
InChIInChI=1S/C12H24N2O2/c1-15-10-6-13-5-9-14-7-3-12(4-8-14)11-16-2/h3,13H,4-11H2,1-2H3
InChIKeyALJQWCPAZLJURK-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.50
Rot. Bonds8

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

N-(2-methoxyethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine (PubChem CID 114411070) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
PubChem CID114411070
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(2-methoxyethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
SMILESCOCCNCCN1CC=C(COC)CC1
InChIInChI=1S/C12H24N2O2/c1-15-10-6-13-5-9-14-7-3-12(4-8-14)11-16-2/h3,13H,4-11H2,1-2H3
InChIKeyALJQWCPAZLJURK-UHFFFAOYSA-N
XLogP0.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.50
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'}

Analyze N-(2-methoxyethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]ethanamine
CID 114411090
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
5-methoxy-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 79607482
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
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
3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpropan-1-amine
CID 103227337
N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-2-amine
CID 103227338
N-ethyl-3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227339
3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpropan-1-amine
CID 103227340
3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpropan-1-amine
CID 103227341

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine?
The IUPAC name of N-(2-methoxyethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine (CID 114411070) is N-(2-methoxyethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine is COCCNCCN1CC=C(COC)CC1.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine?
The InChIKey is ALJQWCPAZLJURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-15-10-6-13-5-9-14-7-3-12(4-8-14)11-16-2/h3,13H,4-11H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine?
N-(2-methoxyethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine has a molecular weight of 228.34 g/mol, XLogP of 0.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine is sourced from PubChem (CID 114411070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).