N-(2,5-dihydropyridin-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine

C14H19N3 — CID 91273459

IUPACN-(2,5-dihydropyridin-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCCN(Cc1ccccn1)CC1C=CCC=N1
InChIInChI=1S/C14H19N3/c1-2-17(11-13-7-3-5-9-15-13)12-14-8-4-6-10-16-14/h3-5,7-10,14H,2,6,11-12H2,1H3
InChIKeyDFZNKUWADVWLRI-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.30
Rot. Bonds5

About N-(2,5-dihydropyridin-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine

N-(2,5-dihydropyridin-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 91273459) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-(2,5-dihydropyridin-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(2,5-dihydropyridin-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID91273459
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-(2,5-dihydropyridin-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCCN(Cc1ccccn1)CC1C=CCC=N1
InChIInChI=1S/C14H19N3/c1-2-17(11-13-7-3-5-9-15-13)12-14-8-4-6-10-16-14/h3-5,7-10,14H,2,6,11-12H2,1H3
InChIKeyDFZNKUWADVWLRI-UHFFFAOYSA-N
XLogP2.30
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[ethyl(pyridin-2-ylmethyl)amino]methanol
CID 20707216
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444
1-[ethyl(pyridin-2-ylmethyl)amino]propan-2-ol
CID 78998409
4-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627963
N-[(2-bromophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine
CID 78942264
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
N-[[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4,6-triethylphenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 15846287
1-cyclopentyl-2-[ethyl(pyridin-2-ylmethyl)amino]ethanone
CID 113448877
N-methoxy-N-(pyridin-2-ylmethyl)ethanamine
CID 59512202
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
2-[1-(aminomethyl)cyclobutyl]-N-ethyl-N-(pyridin-2-ylmethyl)ethanamine
CID 81170607

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dihydropyridin-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of N-(2,5-dihydropyridin-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine (CID 91273459) is N-(2,5-dihydropyridin-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-(2,5-dihydropyridin-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for N-(2,5-dihydropyridin-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine is CCN(Cc1ccccn1)CC1C=CCC=N1.
What is the InChIKey of N-(2,5-dihydropyridin-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is DFZNKUWADVWLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-17(11-13-7-3-5-9-15-13)12-14-8-4-6-10-16-14/h3-5,7-10,14H,2,6,11-12H2,1H3.
What are the key properties of N-(2,5-dihydropyridin-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine?
N-(2,5-dihydropyridin-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dihydropyridin-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 91273459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).