N-methyl-1-(5-pentoxy-2-pyridinyl)ethanamine

C13H22N2O — CID 83123208

IUPACN-methyl-1-(5-pentoxy-2-pyridinyl)ethanamine
SMILESCCCCCOc1ccc(C(C)NC)nc1
InChIInChI=1S/C13H22N2O/c1-4-5-6-9-16-12-7-8-13(15-10-12)11(2)14-3/h7-8,10-11,14H,4-6,9H2,1-3H3
InChIKeyHMIDPDFYVOPIQF-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.93
Rot. Bonds7

About N-methyl-1-(5-pentoxy-2-pyridinyl)ethanamine

N-methyl-1-(5-pentoxy-2-pyridinyl)ethanamine (PubChem CID 83123208) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-methyl-1-(5-pentoxy-2-pyridinyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(5-pentoxy-2-pyridinyl)ethanamine
PubChem CID83123208
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-methyl-1-(5-pentoxy-2-pyridinyl)ethanamine
SMILESCCCCCOc1ccc(C(C)NC)nc1
InChIInChI=1S/C13H22N2O/c1-4-5-6-9-16-12-7-8-13(15-10-12)11(2)14-3/h7-8,10-11,14H,4-6,9H2,1-3H3
InChIKeyHMIDPDFYVOPIQF-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
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

N-methyl-1-(5-propoxy-2-pyridinyl)ethanamine
CID 83124006
N-ethyl-1-(5-heptoxy-2-pyridinyl)ethanamine
CID 83124328
3-[[6-[1-(methylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol
CID 83124087
1-(5-pentoxy-2-pyridinyl)ethanamine
CID 83123207
1-(5-octoxy-2-pyridinyl)ethanamine
CID 83124085
N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]ethanamine
CID 83127836
(1R)-1-(5-butoxy-2-pyridinyl)ethanamine
CID 83124335
3-[[6-[1-(propylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol
CID 83124172
(1S)-1-[5-(2-butoxyethoxy)-2-pyridinyl]ethanamine
CID 83123515
1-[5-(cyclohexylmethoxy)-2-pyridinyl]-N-methylethanamine
CID 83123383
1-(5-propoxy-2-pyridinyl)ethanol
CID 174643637
N-methyl-1-[5-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]ethanamine
CID 116801748

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-pentoxy-2-pyridinyl)ethanamine?
The IUPAC name of N-methyl-1-(5-pentoxy-2-pyridinyl)ethanamine (CID 83123208) is N-methyl-1-(5-pentoxy-2-pyridinyl)ethanamine.
What is the SMILES notation for N-methyl-1-(5-pentoxy-2-pyridinyl)ethanamine?
The canonical SMILES for N-methyl-1-(5-pentoxy-2-pyridinyl)ethanamine is CCCCCOc1ccc(C(C)NC)nc1.
What is the InChIKey of N-methyl-1-(5-pentoxy-2-pyridinyl)ethanamine?
The InChIKey is HMIDPDFYVOPIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-5-6-9-16-12-7-8-13(15-10-12)11(2)14-3/h7-8,10-11,14H,4-6,9H2,1-3H3.
What are the key properties of N-methyl-1-(5-pentoxy-2-pyridinyl)ethanamine?
N-methyl-1-(5-pentoxy-2-pyridinyl)ethanamine has a molecular weight of 222.33 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-pentoxy-2-pyridinyl)ethanamine is sourced from PubChem (CID 83123208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).