2-(6-methyl-3-pentoxy-2-pyridinyl)ethanamine

C13H22N2O — CID 79168982

IUPAC2-(6-methyl-3-pentoxy-2-pyridinyl)ethanamine
SMILESCCCCCOc1ccc(C)nc1CCN
InChIInChI=1S/C13H22N2O/c1-3-4-5-10-16-13-7-6-11(2)15-12(13)8-9-14/h6-7H,3-5,8-10,14H2,1-2H3
InChIKeyPQLQYBZYUABLBZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.46
Rot. Bonds7

About 2-(6-methyl-3-pentoxy-2-pyridinyl)ethanamine

2-(6-methyl-3-pentoxy-2-pyridinyl)ethanamine (PubChem CID 79168982) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(6-methyl-3-pentoxy-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(6-methyl-3-pentoxy-2-pyridinyl)ethanamine
PubChem CID79168982
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(6-methyl-3-pentoxy-2-pyridinyl)ethanamine
SMILESCCCCCOc1ccc(C)nc1CCN
InChIInChI=1S/C13H22N2O/c1-3-4-5-10-16-13-7-6-11(2)15-12(13)8-9-14/h6-7H,3-5,8-10,14H2,1-2H3
InChIKeyPQLQYBZYUABLBZ-UHFFFAOYSA-N
XLogP2.46
TPSA48.14 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 ≤ 52.46
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

2-[3-(3-ethoxypropoxy)-6-methyl-2-pyridinyl]ethanamine
CID 79169891
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine
CID 103174470
1-(6-methyl-3-octoxy-2-pyridinyl)butan-2-amine
CID 79164912
methyl 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]propanoate
CID 79168742
2-[6-methyl-3-(2-propan-2-ylsulfonylethoxy)-2-pyridinyl]ethanamine
CID 106728413
2-[6-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]ethanamine
CID 103013161
2-[3-(2-bromoprop-2-enoxy)-6-methyl-2-pyridinyl]ethanamine
CID 79168660
2-[3-(cyclopentylmethoxy)-6-methyl-2-pyridinyl]ethanamine
CID 79169642
3-(6-chlorohexoxy)-2-ethyl-6-methylpyridine
CID 103174559
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-ol
CID 103175334
3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylpropanamide
CID 79168812
2-[6-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-2-pyridinyl]ethanamine
CID 79168989

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pentoxy-2-pyridinyl)ethanamine?
The IUPAC name of 2-(6-methyl-3-pentoxy-2-pyridinyl)ethanamine (CID 79168982) is 2-(6-methyl-3-pentoxy-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(6-methyl-3-pentoxy-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(6-methyl-3-pentoxy-2-pyridinyl)ethanamine is CCCCCOc1ccc(C)nc1CCN.
What is the InChIKey of 2-(6-methyl-3-pentoxy-2-pyridinyl)ethanamine?
The InChIKey is PQLQYBZYUABLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-4-5-10-16-13-7-6-11(2)15-12(13)8-9-14/h6-7H,3-5,8-10,14H2,1-2H3.
What are the key properties of 2-(6-methyl-3-pentoxy-2-pyridinyl)ethanamine?
2-(6-methyl-3-pentoxy-2-pyridinyl)ethanamine has a molecular weight of 222.33 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pentoxy-2-pyridinyl)ethanamine is sourced from PubChem (CID 79168982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).