4-[(1S)-1-aminoethyl]-5-pyridin-2-ylpyridin-2-amine

C12H14N4 — CID 155291038

IUPAC4-[(1S)-1-aminoethyl]-5-pyridin-2-ylpyridin-2-amine
SMILESC[C@H](N)c1cc(N)ncc1-c1ccccn1
InChIInChI=1S/C12H14N4/c1-8(13)9-6-12(14)16-7-10(9)11-4-2-3-5-15-11/h2-8H,13H2,1H3,(H2,14,16)/t8-/m0/s1
InChIKeyOSJIZFRLXCKVGY-QMMMGPOBSA-N
MW214.27 g/mol
LogP1.75
Rot. Bonds2

About 4-[(1S)-1-aminoethyl]-5-pyridin-2-ylpyridin-2-amine

4-[(1S)-1-aminoethyl]-5-pyridin-2-ylpyridin-2-amine (PubChem CID 155291038) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-[(1S)-1-aminoethyl]-5-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound Name4-[(1S)-1-aminoethyl]-5-pyridin-2-ylpyridin-2-amine
PubChem CID155291038
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name4-[(1S)-1-aminoethyl]-5-pyridin-2-ylpyridin-2-amine
SMILESC[C@H](N)c1cc(N)ncc1-c1ccccn1
InChIInChI=1S/C12H14N4/c1-8(13)9-6-12(14)16-7-10(9)11-4-2-3-5-15-11/h2-8H,13H2,1H3,(H2,14,16)/t8-/m0/s1
InChIKeyOSJIZFRLXCKVGY-QMMMGPOBSA-N
XLogP1.75
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminoethyl]-5-pyridin-2-ylpyridin-2-amine?
The IUPAC name of 4-[(1S)-1-aminoethyl]-5-pyridin-2-ylpyridin-2-amine (CID 155291038) is 4-[(1S)-1-aminoethyl]-5-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for 4-[(1S)-1-aminoethyl]-5-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for 4-[(1S)-1-aminoethyl]-5-pyridin-2-ylpyridin-2-amine is C[C@H](N)c1cc(N)ncc1-c1ccccn1.
What is the InChIKey of 4-[(1S)-1-aminoethyl]-5-pyridin-2-ylpyridin-2-amine?
The InChIKey is OSJIZFRLXCKVGY-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14N4/c1-8(13)9-6-12(14)16-7-10(9)11-4-2-3-5-15-11/h2-8H,13H2,1H3,(H2,14,16)/t8-/m0/s1.
What are the key properties of 4-[(1S)-1-aminoethyl]-5-pyridin-2-ylpyridin-2-amine?
4-[(1S)-1-aminoethyl]-5-pyridin-2-ylpyridin-2-amine has a molecular weight of 214.27 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-aminoethyl]-5-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 155291038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).