(1R)-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]propan-1-amine

C16H21N3O — CID 103937833

IUPAC(1R)-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(OCCCc2ccncc2)cn1
InChIInChI=1S/C16H21N3O/c1-2-15(17)16-6-5-14(12-19-16)20-11-3-4-13-7-9-18-10-8-13/h5-10,12,15H,2-4,11,17H2,1H3/t15-/m1/s1
InChIKeyKWXXTIOTKQOSBE-OAHLLOKOSA-N
MW271.36 g/mol
LogP2.90
Rot. Bonds7

About (1R)-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]propan-1-amine

(1R)-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]propan-1-amine (PubChem CID 103937833) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (1R)-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]propan-1-amine
PubChem CID103937833
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(1R)-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(OCCCc2ccncc2)cn1
InChIInChI=1S/C16H21N3O/c1-2-15(17)16-6-5-14(12-19-16)20-11-3-4-13-7-9-18-10-8-13/h5-10,12,15H,2-4,11,17H2,1H3/t15-/m1/s1
InChIKeyKWXXTIOTKQOSBE-OAHLLOKOSA-N
XLogP2.90
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R)-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]propan-1-amine with MolForge

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Related Compounds

N-ethyl-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]ethanamine
CID 83109421
[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanamine
CID 113320443
(1S)-1-[5-(2-propoxyethoxy)-2-pyridinyl]propan-1-amine
CID 113355207
1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]propan-1-amine
CID 115940032
(1S)-1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-amine
CID 103937797
1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-1-amine
CID 112584686
(1S)-1-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine
CID 103937876
(1R)-1-(5-butoxy-2-pyridinyl)ethanamine
CID 83124335
6-[(1R)-1-aminopropyl]-N-ethyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 103937134
(1R)-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine
CID 103937928
(1S)-1-[5-(4-bromophenoxy)-2-pyridinyl]propan-1-amine
CID 103937759
(1S)-1-[5-(4-iodophenoxy)-2-pyridinyl]propan-1-amine
CID 103937836

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]propan-1-amine?
The IUPAC name of (1R)-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]propan-1-amine (CID 103937833) is (1R)-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]propan-1-amine?
The canonical SMILES for (1R)-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]propan-1-amine is CC[C@@H](N)c1ccc(OCCCc2ccncc2)cn1.
What is the InChIKey of (1R)-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]propan-1-amine?
The InChIKey is KWXXTIOTKQOSBE-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-15(17)16-6-5-14(12-19-16)20-11-3-4-13-7-9-18-10-8-13/h5-10,12,15H,2-4,11,17H2,1H3/t15-/m1/s1.
What are the key properties of (1R)-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]propan-1-amine?
(1R)-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]propan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 103937833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).