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

C8H16N2 — CID 23121981

IUPAC2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine
SMILESCNCCN1CC=CCC1
InChIInChI=1S/C8H16N2/c1-9-5-8-10-6-3-2-4-7-10/h2-3,9H,4-8H2,1H3
InChIKeyDJLZKCPEXBVIJA-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.47
Rot. Bonds3

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

2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine (PubChem CID 23121981) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine
PubChem CID23121981
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine
SMILESCNCCN1CC=CCC1
InChIInChI=1S/C8H16N2/c1-9-5-8-10-6-3-2-4-7-10/h2-3,9H,4-8H2,1H3
InChIKeyDJLZKCPEXBVIJA-UHFFFAOYSA-N
XLogP0.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine?
The IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine (CID 23121981) is 2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine is CNCCN1CC=CCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine?
The InChIKey is DJLZKCPEXBVIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-9-5-8-10-6-3-2-4-7-10/h2-3,9H,4-8H2,1H3.
What are the key properties of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine?
2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine has a molecular weight of 140.23 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine is sourced from PubChem (CID 23121981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).