4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine

C12H20N2O — CID 103174470

IUPAC4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine
SMILESCCc1nc(C)ccc1OCCCCN
InChIInChI=1S/C12H20N2O/c1-3-11-12(7-6-10(2)14-11)15-9-5-4-8-13/h6-7H,3-5,8-9,13H2,1-2H3
InChIKeyQPOQZNSDZKRFFO-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.07
Rot. Bonds6

About 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine

4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine (PubChem CID 103174470) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine.

Molecular Properties

Compound Name4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine
PubChem CID103174470
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine
SMILESCCc1nc(C)ccc1OCCCCN
InChIInChI=1S/C12H20N2O/c1-3-11-12(7-6-10(2)14-11)15-9-5-4-8-13/h6-7H,3-5,8-9,13H2,1-2H3
InChIKeyQPOQZNSDZKRFFO-UHFFFAOYSA-N
XLogP2.07
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-ol
CID 103175334
3-(6-chlorohexoxy)-2-ethyl-6-methylpyridine
CID 103174559
2-(6-methyl-3-pentoxy-2-pyridinyl)ethanamine
CID 79168982
2-ethyl-6-methyl-3-(3-methylsulfonylpropoxy)pyridine
CID 99831600
2-[3-(3-ethoxypropoxy)-6-methyl-2-pyridinyl]ethanamine
CID 79169891
[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methanamine
CID 113326257
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 114524856
3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]propanoic acid
CID 103174229
3-(5-chloro-3-methylpentoxy)-2-ethyl-6-methylpyridine
CID 103174565
N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]-2-methoxyethanamine
CID 103175724
[4-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-2-yl]methanamine
CID 103175647
1-(6-methyl-3-octoxy-2-pyridinyl)butan-2-amine
CID 79164912

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine?
The IUPAC name of 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine (CID 103174470) is 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine.
What is the SMILES notation for 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine?
The canonical SMILES for 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine is CCc1nc(C)ccc1OCCCCN.
What is the InChIKey of 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine?
The InChIKey is QPOQZNSDZKRFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-11-12(7-6-10(2)14-11)15-9-5-4-8-13/h6-7H,3-5,8-9,13H2,1-2H3.
What are the key properties of 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine?
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine has a molecular weight of 208.30 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine is sourced from PubChem (CID 103174470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).