(1S)-1-pyridin-2-yl-N-(2-pyridin-4-ylethyl)ethanamine

C14H17N3 — CID 81402151

IUPAC(1S)-1-pyridin-2-yl-N-(2-pyridin-4-ylethyl)ethanamine
SMILESC[C@H](NCCc1ccncc1)c1ccccn1
InChIInChI=1S/C14H17N3/c1-12(14-4-2-3-8-17-14)16-11-7-13-5-9-15-10-6-13/h2-6,8-10,12,16H,7,11H2,1H3/t12-/m0/s1
InChIKeyUUAALJFMVHVUDB-LBPRGKRZSA-N
MW227.31 g/mol
LogP2.37
Rot. Bonds5

About (1S)-1-pyridin-2-yl-N-(2-pyridin-4-ylethyl)ethanamine

(1S)-1-pyridin-2-yl-N-(2-pyridin-4-ylethyl)ethanamine (PubChem CID 81402151) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is (1S)-1-pyridin-2-yl-N-(2-pyridin-4-ylethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-pyridin-2-yl-N-(2-pyridin-4-ylethyl)ethanamine
PubChem CID81402151
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name(1S)-1-pyridin-2-yl-N-(2-pyridin-4-ylethyl)ethanamine
SMILESC[C@H](NCCc1ccncc1)c1ccccn1
InChIInChI=1S/C14H17N3/c1-12(14-4-2-3-8-17-14)16-11-7-13-5-9-15-10-6-13/h2-6,8-10,12,16H,7,11H2,1H3/t12-/m0/s1
InChIKeyUUAALJFMVHVUDB-LBPRGKRZSA-N
XLogP2.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54941173
N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
CID 91928341
N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine
CID 107445925
3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 2772086
3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 81399957
(1R)-1-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 81402120
2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
CID 81407753
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
CID 60647906
1-(2-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54941073
N-[2-(5-bromothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 113343837
1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405

Frequently Asked Questions

What is the IUPAC name of (1S)-1-pyridin-2-yl-N-(2-pyridin-4-ylethyl)ethanamine?
The IUPAC name of (1S)-1-pyridin-2-yl-N-(2-pyridin-4-ylethyl)ethanamine (CID 81402151) is (1S)-1-pyridin-2-yl-N-(2-pyridin-4-ylethyl)ethanamine.
What is the SMILES notation for (1S)-1-pyridin-2-yl-N-(2-pyridin-4-ylethyl)ethanamine?
The canonical SMILES for (1S)-1-pyridin-2-yl-N-(2-pyridin-4-ylethyl)ethanamine is C[C@H](NCCc1ccncc1)c1ccccn1.
What is the InChIKey of (1S)-1-pyridin-2-yl-N-(2-pyridin-4-ylethyl)ethanamine?
The InChIKey is UUAALJFMVHVUDB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17N3/c1-12(14-4-2-3-8-17-14)16-11-7-13-5-9-15-10-6-13/h2-6,8-10,12,16H,7,11H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-pyridin-2-yl-N-(2-pyridin-4-ylethyl)ethanamine?
(1S)-1-pyridin-2-yl-N-(2-pyridin-4-ylethyl)ethanamine has a molecular weight of 227.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-pyridin-2-yl-N-(2-pyridin-4-ylethyl)ethanamine is sourced from PubChem (CID 81402151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).