[4-(2-ethylhexoxy)-2,6-dimethyl-3-pyridinyl]methanamine

C16H28N2O — CID 81050477

IUPAC[4-(2-ethylhexoxy)-2,6-dimethyl-3-pyridinyl]methanamine
SMILESCCCCC(CC)COc1cc(C)nc(C)c1CN
InChIInChI=1S/C16H28N2O/c1-5-7-8-14(6-2)11-19-16-9-12(3)18-13(4)15(16)10-17/h9,14H,5-8,10-11,17H2,1-4H3
InChIKeyDGKVVIGNWWWSCX-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.75
Rot. Bonds8

About [4-(2-ethylhexoxy)-2,6-dimethyl-3-pyridinyl]methanamine

[4-(2-ethylhexoxy)-2,6-dimethyl-3-pyridinyl]methanamine (PubChem CID 81050477) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is [4-(2-ethylhexoxy)-2,6-dimethyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(2-ethylhexoxy)-2,6-dimethyl-3-pyridinyl]methanamine
PubChem CID81050477
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name[4-(2-ethylhexoxy)-2,6-dimethyl-3-pyridinyl]methanamine
SMILESCCCCC(CC)COc1cc(C)nc(C)c1CN
InChIInChI=1S/C16H28N2O/c1-5-7-8-14(6-2)11-19-16-9-12(3)18-13(4)15(16)10-17/h9,14H,5-8,10-11,17H2,1-4H3
InChIKeyDGKVVIGNWWWSCX-UHFFFAOYSA-N
XLogP3.75
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylhexoxy)-4-methylaniline
CID 63404064
3-(chloromethyl)-2-(2-ethylhexoxy)-4,6-dimethylpyridine
CID 55200147
[4-(2-ethylhexoxy)-3,5-dimethylphenyl]methanamine
CID 55191930
1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene
CID 71351015
1,2,3,4,5-pentakis(2-ethylhexoxy)benzene
CID 90923356
[2-(2-ethylhexoxy)-4-propoxyphenyl]methanamine
CID 63498813
3-(2-ethylhexoxy)-4-methylthiophene
CID 23049597
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
4-(2-ethylhexoxy)-N,6-dimethylpyrimidin-2-amine
CID 80861413
1-[3-(2-ethylhexoxy)-6-methyl-2-pyridinyl]butan-2-amine
CID 79165128
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
1-(2-ethylhexoxy)-2-[2-(2-ethylhexoxy)-6-methylphenyl]-3-methylbenzene
CID 21028375

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylhexoxy)-2,6-dimethyl-3-pyridinyl]methanamine?
The IUPAC name of [4-(2-ethylhexoxy)-2,6-dimethyl-3-pyridinyl]methanamine (CID 81050477) is [4-(2-ethylhexoxy)-2,6-dimethyl-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(2-ethylhexoxy)-2,6-dimethyl-3-pyridinyl]methanamine?
The canonical SMILES for [4-(2-ethylhexoxy)-2,6-dimethyl-3-pyridinyl]methanamine is CCCCC(CC)COc1cc(C)nc(C)c1CN.
What is the InChIKey of [4-(2-ethylhexoxy)-2,6-dimethyl-3-pyridinyl]methanamine?
The InChIKey is DGKVVIGNWWWSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-7-8-14(6-2)11-19-16-9-12(3)18-13(4)15(16)10-17/h9,14H,5-8,10-11,17H2,1-4H3.
What are the key properties of [4-(2-ethylhexoxy)-2,6-dimethyl-3-pyridinyl]methanamine?
[4-(2-ethylhexoxy)-2,6-dimethyl-3-pyridinyl]methanamine has a molecular weight of 264.41 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylhexoxy)-2,6-dimethyl-3-pyridinyl]methanamine is sourced from PubChem (CID 81050477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).