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

C12H17N3 — CID 104921293

IUPAC(1R)-1-[5-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine
SMILESC[C@@H](N)c1ccc(N2CC=CCC2)cn1
InChIInChI=1S/C12H17N3/c1-10(13)12-6-5-11(9-14-12)15-7-3-2-4-8-15/h2-3,5-6,9-10H,4,7-8,13H2,1H3/t10-/m1/s1
InChIKeyALZUUICZPQLEQE-SNVBAGLBSA-N
MW203.29 g/mol
LogP1.87
Rot. Bonds2

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

(1R)-1-[5-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine (PubChem CID 104921293) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (1R)-1-[5-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine
PubChem CID104921293
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(1R)-1-[5-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine
SMILESC[C@@H](N)c1ccc(N2CC=CCC2)cn1
InChIInChI=1S/C12H17N3/c1-10(13)12-6-5-11(9-14-12)15-7-3-2-4-8-15/h2-3,5-6,9-10H,4,7-8,13H2,1H3/t10-/m1/s1
InChIKeyALZUUICZPQLEQE-SNVBAGLBSA-N
XLogP1.87
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[5-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine (CID 104921293) is (1R)-1-[5-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[5-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine is C[C@@H](N)c1ccc(N2CC=CCC2)cn1.
What is the InChIKey of (1R)-1-[5-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine?
The InChIKey is ALZUUICZPQLEQE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N3/c1-10(13)12-6-5-11(9-14-12)15-7-3-2-4-8-15/h2-3,5-6,9-10H,4,7-8,13H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[5-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine?
(1R)-1-[5-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine has a molecular weight of 203.29 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 104921293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).