2-(2,3-dihydropyridin-2-yl)-N-ethylethanamine

C9H16N2 — CID 123215911

IUPAC2-(2,3-dihydropyridin-2-yl)-N-ethylethanamine
SMILESCCNCCC1CC=CC=N1
InChIInChI=1S/C9H16N2/c1-2-10-8-6-9-5-3-4-7-11-9/h3-4,7,9-10H,2,5-6,8H2,1H3
InChIKeyZOEBLLBLSOMEHM-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.39
Rot. Bonds4

About 2-(2,3-dihydropyridin-2-yl)-N-ethylethanamine

2-(2,3-dihydropyridin-2-yl)-N-ethylethanamine (PubChem CID 123215911) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(2,3-dihydropyridin-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2,3-dihydropyridin-2-yl)-N-ethylethanamine
PubChem CID123215911
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-(2,3-dihydropyridin-2-yl)-N-ethylethanamine
SMILESCCNCCC1CC=CC=N1
InChIInChI=1S/C9H16N2/c1-2-10-8-6-9-5-3-4-7-11-9/h3-4,7,9-10H,2,5-6,8H2,1H3
InChIKeyZOEBLLBLSOMEHM-UHFFFAOYSA-N
XLogP1.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2,3-dihydropyridin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 44581277
1-[2-(2,3-Dihydropyridin-2-yl)ethyl]piperazine
CID 57000685
N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine
CID 57021708
5-(2,3-Dihydropyridin-2-yl)pentan-2-amine
CID 67896760
N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine
CID 89030889
1-(2,3-dihydropyridin-3-yl)-N-methylethanamine
CID 89183369
1-imino-N-methylhept-5-en-2-amine
CID 123138426
N-(1-butan-2-yliminopropan-2-yl)hept-5-en-1-amine
CID 123147884
N-(2,3-dihydropyridin-2-ylmethyl)-2-ethyliminopentan-1-amine
CID 123262214
N-(2-methyliminoethyl)hex-4-en-2-amine
CID 123303353
1-(2,3-dihydropyridin-6-yl)-N-methylpropan-1-amine
CID 123364560
2-(2,3-Dihydropyridin-2-yl)ethanamine
CID 123453211

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydropyridin-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(2,3-dihydropyridin-2-yl)-N-ethylethanamine (CID 123215911) is 2-(2,3-dihydropyridin-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(2,3-dihydropyridin-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(2,3-dihydropyridin-2-yl)-N-ethylethanamine is CCNCCC1CC=CC=N1.
What is the InChIKey of 2-(2,3-dihydropyridin-2-yl)-N-ethylethanamine?
The InChIKey is ZOEBLLBLSOMEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-10-8-6-9-5-3-4-7-11-9/h3-4,7,9-10H,2,5-6,8H2,1H3.
What are the key properties of 2-(2,3-dihydropyridin-2-yl)-N-ethylethanamine?
2-(2,3-dihydropyridin-2-yl)-N-ethylethanamine has a molecular weight of 152.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyridin-2-yl)-N-ethylethanamine is sourced from PubChem (CID 123215911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).