4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]but-2-en-1-amine

C12H19N3O — CID 54270709

IUPAC4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]but-2-en-1-amine
SMILESCN(C)Cc1ccnc(OCC=CCN)c1
InChIInChI=1S/C12H19N3O/c1-15(2)10-11-5-7-14-12(9-11)16-8-4-3-6-13/h3-5,7,9H,6,8,10,13H2,1-2H3
InChIKeyRJXFQDIUCDAOQF-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.04
Rot. Bonds6

About 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]but-2-en-1-amine

4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]but-2-en-1-amine (PubChem CID 54270709) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]but-2-en-1-amine.

Molecular Properties

Compound Name4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]but-2-en-1-amine
PubChem CID54270709
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]but-2-en-1-amine
SMILESCN(C)Cc1ccnc(OCC=CCN)c1
InChIInChI=1S/C12H19N3O/c1-15(2)10-11-5-7-14-12(9-11)16-8-4-3-6-13/h3-5,7,9H,6,8,10,13H2,1-2H3
InChIKeyRJXFQDIUCDAOQF-UHFFFAOYSA-N
XLogP1.04
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]but-2-en-1-amine?
The IUPAC name of 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]but-2-en-1-amine (CID 54270709) is 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]but-2-en-1-amine.
What is the SMILES notation for 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]but-2-en-1-amine?
The canonical SMILES for 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]but-2-en-1-amine is CN(C)Cc1ccnc(OCC=CCN)c1.
What is the InChIKey of 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]but-2-en-1-amine?
The InChIKey is RJXFQDIUCDAOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15(2)10-11-5-7-14-12(9-11)16-8-4-3-6-13/h3-5,7,9H,6,8,10,13H2,1-2H3.
What are the key properties of 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]but-2-en-1-amine?
4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]but-2-en-1-amine has a molecular weight of 221.30 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]but-2-en-1-amine is sourced from PubChem (CID 54270709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).