2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methoxyethyl)ethanamine

C10H20N2O — CID 114410649

IUPAC2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCN1CC=CCC1
InChIInChI=1S/C10H20N2O/c1-13-10-6-11-5-9-12-7-3-2-4-8-12/h2-3,11H,4-10H2,1H3
InChIKeyNYGURELFQICFIK-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.48
Rot. Bonds6

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

2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methoxyethyl)ethanamine (PubChem CID 114410649) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methoxyethyl)ethanamine
PubChem CID114410649
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCN1CC=CCC1
InChIInChI=1S/C10H20N2O/c1-13-10-6-11-5-9-12-7-3-2-4-8-12/h2-3,11H,4-10H2,1H3
InChIKeyNYGURELFQICFIK-UHFFFAOYSA-N
XLogP0.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-(2-methoxyethyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
CID 114490234
1-N'-(2-methoxyethyl)cyclohexa-2,5-diene-1,1-diamine
CID 21252349
1-[(E)-2-methoxypent-2-enyl]piperazine
CID 143703301
1-[(Z)-2-methoxypent-2-enyl]piperazine
CID 144961828
1-Oxa-4,7-diazacyclododec-9-ene
CID 146242330
N-(2-methoxyethyl)-N'-methyl-N'-prop-2-enylethane-1,2-diamine
CID 62381598
(E)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 62548328
N'-ethyl-N'-(2-methoxyethyl)-N-prop-2-enylethane-1,2-diamine
CID 62554306
N'-(2-methoxyethyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62557035
N-but-3-enyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 64313070
N'-(2-methoxyethyl)-N'-methyl-N-pent-4-enylethane-1,2-diamine
CID 64313071
N-(2-morpholin-4-ylethyl)but-3-en-1-amine
CID 64316702

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methoxyethyl)ethanamine (CID 114410649) is 2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methoxyethyl)ethanamine is COCCNCCN1CC=CCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is NYGURELFQICFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-13-10-6-11-5-9-12-7-3-2-4-8-12/h2-3,11H,4-10H2,1H3.
What are the key properties of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methoxyethyl)ethanamine?
2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 184.28 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 114410649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).