N-ethyl-1-(5-methyl-3-pyridinyl)-2-propoxyethanamine

C13H22N2O — CID 115374427

IUPACN-ethyl-1-(5-methyl-3-pyridinyl)-2-propoxyethanamine
SMILESCCCOCC(NCC)c1cncc(C)c1
InChIInChI=1S/C13H22N2O/c1-4-6-16-10-13(15-5-2)12-7-11(3)8-14-9-12/h7-9,13,15H,4-6,10H2,1-3H3
InChIKeyOUZHZPNUIOEZAW-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.47
Rot. Bonds7

About N-ethyl-1-(5-methyl-3-pyridinyl)-2-propoxyethanamine

N-ethyl-1-(5-methyl-3-pyridinyl)-2-propoxyethanamine (PubChem CID 115374427) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-ethyl-1-(5-methyl-3-pyridinyl)-2-propoxyethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-methyl-3-pyridinyl)-2-propoxyethanamine
PubChem CID115374427
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-ethyl-1-(5-methyl-3-pyridinyl)-2-propoxyethanamine
SMILESCCCOCC(NCC)c1cncc(C)c1
InChIInChI=1S/C13H22N2O/c1-4-6-16-10-13(15-5-2)12-7-11(3)8-14-9-12/h7-9,13,15H,4-6,10H2,1-3H3
InChIKeyOUZHZPNUIOEZAW-UHFFFAOYSA-N
XLogP2.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.47
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

1-(5-methyl-3-pyridinyl)-2-propoxyethanol
CID 115374102
2-ethoxy-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374703
N-ethyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine
CID 63155925
N-ethyl-2-ethylsulfanyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374602
1-(5-methyl-3-pyridinyl)-3-propoxypropan-1-amine
CID 105173870
[3-ethoxy-1-(5-methyl-3-pyridinyl)propyl]hydrazine
CID 105328621
N-ethyl-2-propoxy-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143217
N-[(5-methyl-3-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine
CID 105144285
N-ethyl-1-(5-methyl-3-pyridinyl)-3-pyridin-4-ylpropan-1-amine
CID 105173949
N-ethyl-1-(5-methyl-3-pyridinyl)hex-5-yn-1-amine
CID 105179743
N-[(3,5-dimethylphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105023254
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105122565

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-methyl-3-pyridinyl)-2-propoxyethanamine?
The IUPAC name of N-ethyl-1-(5-methyl-3-pyridinyl)-2-propoxyethanamine (CID 115374427) is N-ethyl-1-(5-methyl-3-pyridinyl)-2-propoxyethanamine.
What is the SMILES notation for N-ethyl-1-(5-methyl-3-pyridinyl)-2-propoxyethanamine?
The canonical SMILES for N-ethyl-1-(5-methyl-3-pyridinyl)-2-propoxyethanamine is CCCOCC(NCC)c1cncc(C)c1.
What is the InChIKey of N-ethyl-1-(5-methyl-3-pyridinyl)-2-propoxyethanamine?
The InChIKey is OUZHZPNUIOEZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-6-16-10-13(15-5-2)12-7-11(3)8-14-9-12/h7-9,13,15H,4-6,10H2,1-3H3.
What are the key properties of N-ethyl-1-(5-methyl-3-pyridinyl)-2-propoxyethanamine?
N-ethyl-1-(5-methyl-3-pyridinyl)-2-propoxyethanamine has a molecular weight of 222.33 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-methyl-3-pyridinyl)-2-propoxyethanamine is sourced from PubChem (CID 115374427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).