N-[[3-(2-methylpentoxy)-4-pyridinyl]methyl]ethanamine

C14H24N2O — CID 103285372

IUPACN-[[3-(2-methylpentoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCCC(C)COc1cnccc1CNCC
InChIInChI=1S/C14H24N2O/c1-4-6-12(3)11-17-14-10-16-8-7-13(14)9-15-5-2/h7-8,10,12,15H,4-6,9,11H2,1-3H3
InChIKeyAMYVJCGWJIDKJH-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.01
Rot. Bonds8

About N-[[3-(2-methylpentoxy)-4-pyridinyl]methyl]ethanamine

N-[[3-(2-methylpentoxy)-4-pyridinyl]methyl]ethanamine (PubChem CID 103285372) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[[3-(2-methylpentoxy)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2-methylpentoxy)-4-pyridinyl]methyl]ethanamine
PubChem CID103285372
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[[3-(2-methylpentoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCCC(C)COc1cnccc1CNCC
InChIInChI=1S/C14H24N2O/c1-4-6-12(3)11-17-14-10-16-8-7-13(14)9-15-5-2/h7-8,10,12,15H,4-6,9,11H2,1-3H3
InChIKeyAMYVJCGWJIDKJH-UHFFFAOYSA-N
XLogP3.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-methylpentoxy)phenyl]methyl]ethanamine
CID 62265523
N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]ethanamine
CID 105074911
N-[[3-(2-phenoxyethoxy)-4-pyridinyl]methyl]ethanamine
CID 105074999
N-[[3-(4-propoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075483
N-[[3-[3-(2-methoxyethoxy)propoxy]-4-pyridinyl]methyl]ethanamine
CID 103405777
N-[(3-propoxy-4-pyridinyl)methyl]propan-2-amine
CID 105075109
N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]ethanamine
CID 112609626
N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075332
N-[[3-(3-ethoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075595
N-methyl-1-[3-(3-methylbutoxy)-4-pyridinyl]methanamine
CID 105074964
N-[[3-(2,4,5-trichlorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075180
N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105074907

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylpentoxy)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-(2-methylpentoxy)-4-pyridinyl]methyl]ethanamine (CID 103285372) is N-[[3-(2-methylpentoxy)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2-methylpentoxy)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2-methylpentoxy)-4-pyridinyl]methyl]ethanamine is CCCC(C)COc1cnccc1CNCC.
What is the InChIKey of N-[[3-(2-methylpentoxy)-4-pyridinyl]methyl]ethanamine?
The InChIKey is AMYVJCGWJIDKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-6-12(3)11-17-14-10-16-8-7-13(14)9-15-5-2/h7-8,10,12,15H,4-6,9,11H2,1-3H3.
What are the key properties of N-[[3-(2-methylpentoxy)-4-pyridinyl]methyl]ethanamine?
N-[[3-(2-methylpentoxy)-4-pyridinyl]methyl]ethanamine has a molecular weight of 236.36 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylpentoxy)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 103285372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).