N-methyl-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanamine

C14H21N3 — CID 114172403

IUPACN-methyl-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanamine
SMILESCNC(C)c1ccnc(N2CCC=C(C)C2)c1
InChIInChI=1S/C14H21N3/c1-11-5-4-8-17(10-11)14-9-13(6-7-16-14)12(2)15-3/h5-7,9,12,15H,4,8,10H2,1-3H3
InChIKeyCMWLFRZMWVAOKG-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.52
Rot. Bonds3

About N-methyl-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanamine

N-methyl-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanamine (PubChem CID 114172403) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-methyl-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanamine
PubChem CID114172403
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-methyl-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanamine
SMILESCNC(C)c1ccnc(N2CCC=C(C)C2)c1
InChIInChI=1S/C14H21N3/c1-11-5-4-8-17(10-11)14-9-13(6-7-16-14)12(2)15-3/h5-7,9,12,15H,4,8,10H2,1-3H3
InChIKeyCMWLFRZMWVAOKG-UHFFFAOYSA-N
XLogP2.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(azetidin-1-yl)-4-pyridinyl]-N-methylethanamine
CID 130547348
N-methyl-1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine
CID 106314718
N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114172687
N-methyl-1-[2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]ethanamine
CID 103496916
N-methyl-1-[2-(2,2,6,6-tetramethylmorpholin-4-yl)-4-pyridinyl]ethanamine
CID 102744238
[1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 112626014
2-[4-[1-(methylamino)ethyl]-2-pyridinyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81096167
N-[[2-ethyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 106316542
1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-pyridinyl]-N-methylethanamine
CID 103496757
(1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanol
CID 104921402
1-methyl-4-[4-[1-(propylamino)ethyl]-2-pyridinyl]-1,4-diazepan-2-one
CID 102889344
ethyl 1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrazole-4-carboxylate
CID 81498015

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanamine?
The IUPAC name of N-methyl-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanamine (CID 114172403) is N-methyl-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanamine is CNC(C)c1ccnc(N2CCC=C(C)C2)c1.
What is the InChIKey of N-methyl-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanamine?
The InChIKey is CMWLFRZMWVAOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-11-5-4-8-17(10-11)14-9-13(6-7-16-14)12(2)15-3/h5-7,9,12,15H,4,8,10H2,1-3H3.
What are the key properties of N-methyl-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanamine?
N-methyl-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanamine has a molecular weight of 231.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanamine is sourced from PubChem (CID 114172403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).