5-(2-ethoxyethyl)-1,2,3,6-tetrahydropyridine

C9H17NO — CID 84716600

IUPAC5-(2-ethoxyethyl)-1,2,3,6-tetrahydropyridine
SMILESCCOCCC1=CCCNC1
InChIInChI=1S/C9H17NO/c1-2-11-7-5-9-4-3-6-10-8-9/h4,10H,2-3,5-8H2,1H3
InChIKeyRKXWNKDTHQERBP-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds4

About 5-(2-ethoxyethyl)-1,2,3,6-tetrahydropyridine

5-(2-ethoxyethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 84716600) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 5-(2-ethoxyethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(2-ethoxyethyl)-1,2,3,6-tetrahydropyridine
PubChem CID84716600
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name5-(2-ethoxyethyl)-1,2,3,6-tetrahydropyridine
SMILESCCOCCC1=CCCNC1
InChIInChI=1S/C9H17NO/c1-2-11-7-5-9-4-3-6-10-8-9/h4,10H,2-3,5-8H2,1H3
InChIKeyRKXWNKDTHQERBP-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-(Methoxymethyl)-1,2,3,6-tetrahydropyridine
CID 14442217
1-(3,6-dihydro-2H-pyran-4-yl)-N-methylmethanamine
CID 130900413
N-methyl-2-methylidene-4-propoxybutan-1-amine
CID 139313463
(E)-6-methoxy-4-methylidene-N-propan-2-yl-2-prop-1-en-2-ylhex-2-en-1-amine
CID 143394697
N-[2-(3,6-dihydro-2H-pyran-5-yl)ethyl]-3,3-dimethylbutan-1-amine;molecular hydrogen
CID 143543963
N-[2-(4-methylpent-3-enoxy)ethyl]butan-1-amine
CID 144480609
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
Ethane;methoxyethane;4-methyl-1,2,3,6-tetrahydropyridine;hydrate
CID 164919352
N-(4-methoxybutyl)-2-methylidenebutan-1-amine
CID 66046174
N-ethyl-7-methoxy-2-methylhept-2-en-4-amine
CID 79177731
7-methoxy-2-methyl-N-propylhept-2-en-4-amine
CID 79177953
(2Z)-N-(2-methylpropyl)-2-(oxolan-3-ylmethylidene)butan-1-amine
CID 79328800

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(2-ethoxyethyl)-1,2,3,6-tetrahydropyridine (CID 84716600) is 5-(2-ethoxyethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(2-ethoxyethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(2-ethoxyethyl)-1,2,3,6-tetrahydropyridine is CCOCCC1=CCCNC1.
What is the InChIKey of 5-(2-ethoxyethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is RKXWNKDTHQERBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-11-7-5-9-4-3-6-10-8-9/h4,10H,2-3,5-8H2,1H3.
What are the key properties of 5-(2-ethoxyethyl)-1,2,3,6-tetrahydropyridine?
5-(2-ethoxyethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 84716600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).