N-[[2-(2-ethylhexoxy)-3-pyridinyl]methyl]ethanamine

C16H28N2O — CID 62290565

IUPACN-[[2-(2-ethylhexoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCCCC(CC)COc1ncccc1CNCC
InChIInChI=1S/C16H28N2O/c1-4-7-9-14(5-2)13-19-16-15(12-17-6-3)10-8-11-18-16/h8,10-11,14,17H,4-7,9,12-13H2,1-3H3
InChIKeySUXKULSMPIRCTD-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.79
Rot. Bonds10

About N-[[2-(2-ethylhexoxy)-3-pyridinyl]methyl]ethanamine

N-[[2-(2-ethylhexoxy)-3-pyridinyl]methyl]ethanamine (PubChem CID 62290565) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[[2-(2-ethylhexoxy)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-ethylhexoxy)-3-pyridinyl]methyl]ethanamine
PubChem CID62290565
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[[2-(2-ethylhexoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCCCC(CC)COc1ncccc1CNCC
InChIInChI=1S/C16H28N2O/c1-4-7-9-14(5-2)13-19-16-15(12-17-6-3)10-8-11-18-16/h8,10-11,14,17H,4-7,9,12-13H2,1-3H3
InChIKeySUXKULSMPIRCTD-UHFFFAOYSA-N
XLogP3.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-ethylhexoxy)-3-pyridinyl]methanol
CID 61257576
N-[[2-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine
CID 63490739
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
N-[[2-(2-ethylhexoxy)-5-methylphenyl]methyl]ethanamine
CID 63485344
N-[[2-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]ethanamine
CID 66226371
1-(2-ethylhexyl)-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111128009
N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine
CID 63490010
N-[[2-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]ethanamine
CID 103405698
2-methyl-N-[(2-octoxy-3-pyridinyl)methyl]propan-1-amine
CID 63488126
N-[2-[[3-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505728
3-bromo-2-(2-ethylhexoxy)-4-methylpyridine
CID 106877875
N-[[2-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]ethanamine
CID 114470543

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylhexoxy)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-ethylhexoxy)-3-pyridinyl]methyl]ethanamine (CID 62290565) is N-[[2-(2-ethylhexoxy)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-ethylhexoxy)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-ethylhexoxy)-3-pyridinyl]methyl]ethanamine is CCCCC(CC)COc1ncccc1CNCC.
What is the InChIKey of N-[[2-(2-ethylhexoxy)-3-pyridinyl]methyl]ethanamine?
The InChIKey is SUXKULSMPIRCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-7-9-14(5-2)13-19-16-15(12-17-6-3)10-8-11-18-16/h8,10-11,14,17H,4-7,9,12-13H2,1-3H3.
What are the key properties of N-[[2-(2-ethylhexoxy)-3-pyridinyl]methyl]ethanamine?
N-[[2-(2-ethylhexoxy)-3-pyridinyl]methyl]ethanamine has a molecular weight of 264.41 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylhexoxy)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62290565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).