4-[(6-ethyl-3-pyridinyl)oxy]-N-methylbutan-1-amine

C12H20N2O — CID 145261843

IUPAC4-[(6-ethyl-3-pyridinyl)oxy]-N-methylbutan-1-amine
SMILESCCc1ccc(OCCCCNC)cn1
InChIInChI=1S/C12H20N2O/c1-3-11-6-7-12(10-14-11)15-9-5-4-8-13-2/h6-7,10,13H,3-5,8-9H2,1-2H3
InChIKeyZVIYFSODABEGBF-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.02
Rot. Bonds7

About 4-[(6-ethyl-3-pyridinyl)oxy]-N-methylbutan-1-amine

4-[(6-ethyl-3-pyridinyl)oxy]-N-methylbutan-1-amine (PubChem CID 145261843) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-[(6-ethyl-3-pyridinyl)oxy]-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-[(6-ethyl-3-pyridinyl)oxy]-N-methylbutan-1-amine
PubChem CID145261843
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name4-[(6-ethyl-3-pyridinyl)oxy]-N-methylbutan-1-amine
SMILESCCc1ccc(OCCCCNC)cn1
InChIInChI=1S/C12H20N2O/c1-3-11-6-7-12(10-14-11)15-9-5-4-8-13-2/h6-7,10,13H,3-5,8-9H2,1-2H3
InChIKeyZVIYFSODABEGBF-UHFFFAOYSA-N
XLogP2.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.02
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

(5-butoxy-2-pyridinyl)methanamine
CID 79787452
N-methyl-4-pyridin-4-yloxybutan-1-amine
CID 174683460
2-(bromomethyl)-5-octoxypyridine
CID 79799471
2-(bromomethyl)-5-decoxypyridine
CID 79799851
4-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]butan-1-ol
CID 79776524
5-(4-methoxyphenoxy)-N-methylpentan-1-amine
CID 62458714
N-[(5-butoxy-2-pyridinyl)methyl]-2-methoxyethanamine
CID 79793851
4-(4-tert-butylphenoxy)-N-methylbutan-1-amine
CID 62454221
3-(2-chloropyrimidin-5-yl)oxy-N-methylpropan-1-amine
CID 117231271
5-(4-chlorophenoxy)-N-methylpentan-1-amine
CID 62454431
5-[3-(methylamino)propoxy]pyrimidin-2-amine
CID 117231268
N-methyl-6-quinolin-3-yloxyhexan-1-amine
CID 107387823

Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethyl-3-pyridinyl)oxy]-N-methylbutan-1-amine?
The IUPAC name of 4-[(6-ethyl-3-pyridinyl)oxy]-N-methylbutan-1-amine (CID 145261843) is 4-[(6-ethyl-3-pyridinyl)oxy]-N-methylbutan-1-amine.
What is the SMILES notation for 4-[(6-ethyl-3-pyridinyl)oxy]-N-methylbutan-1-amine?
The canonical SMILES for 4-[(6-ethyl-3-pyridinyl)oxy]-N-methylbutan-1-amine is CCc1ccc(OCCCCNC)cn1.
What is the InChIKey of 4-[(6-ethyl-3-pyridinyl)oxy]-N-methylbutan-1-amine?
The InChIKey is ZVIYFSODABEGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-11-6-7-12(10-14-11)15-9-5-4-8-13-2/h6-7,10,13H,3-5,8-9H2,1-2H3.
What are the key properties of 4-[(6-ethyl-3-pyridinyl)oxy]-N-methylbutan-1-amine?
4-[(6-ethyl-3-pyridinyl)oxy]-N-methylbutan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethyl-3-pyridinyl)oxy]-N-methylbutan-1-amine is sourced from PubChem (CID 145261843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).