1-(2,3-dihydropyridin-3-yl)-N-methylethanamine

C8H14N2 — CID 89183369

IUPAC1-(2,3-dihydropyridin-3-yl)-N-methylethanamine
SMILESCNC(C)C1C=CC=NC1
InChIInChI=1S/C8H14N2/c1-7(9-2)8-4-3-5-10-6-8/h3-5,7-9H,6H2,1-2H3
InChIKeyFCJORPIPYKHQKV-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.85
Rot. Bonds2

About 1-(2,3-dihydropyridin-3-yl)-N-methylethanamine

1-(2,3-dihydropyridin-3-yl)-N-methylethanamine (PubChem CID 89183369) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-(2,3-dihydropyridin-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,3-dihydropyridin-3-yl)-N-methylethanamine
PubChem CID89183369
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-(2,3-dihydropyridin-3-yl)-N-methylethanamine
SMILESCNC(C)C1C=CC=NC1
InChIInChI=1S/C8H14N2/c1-7(9-2)8-4-3-5-10-6-8/h3-5,7-9H,6H2,1-2H3
InChIKeyFCJORPIPYKHQKV-UHFFFAOYSA-N
XLogP0.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyridin-3-yl)-N-methylethanamine?
The IUPAC name of 1-(2,3-dihydropyridin-3-yl)-N-methylethanamine (CID 89183369) is 1-(2,3-dihydropyridin-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(2,3-dihydropyridin-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(2,3-dihydropyridin-3-yl)-N-methylethanamine is CNC(C)C1C=CC=NC1.
What is the InChIKey of 1-(2,3-dihydropyridin-3-yl)-N-methylethanamine?
The InChIKey is FCJORPIPYKHQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(9-2)8-4-3-5-10-6-8/h3-5,7-9H,6H2,1-2H3.
What are the key properties of 1-(2,3-dihydropyridin-3-yl)-N-methylethanamine?
1-(2,3-dihydropyridin-3-yl)-N-methylethanamine has a molecular weight of 138.21 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyridin-3-yl)-N-methylethanamine is sourced from PubChem (CID 89183369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).