1-(2,6-dimethyl-4-pyridinyl)-N-ethylhexan-1-amine

C15H26N2 — CID 107503711

IUPAC1-(2,6-dimethyl-4-pyridinyl)-N-ethylhexan-1-amine
SMILESCCCCCC(NCC)c1cc(C)nc(C)c1
InChIInChI=1S/C15H26N2/c1-5-7-8-9-15(16-6-2)14-10-12(3)17-13(4)11-14/h10-11,15-16H,5-9H2,1-4H3
InChIKeyLINIFLMVDDVDFF-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.93
Rot. Bonds7

About 1-(2,6-dimethyl-4-pyridinyl)-N-ethylhexan-1-amine

1-(2,6-dimethyl-4-pyridinyl)-N-ethylhexan-1-amine (PubChem CID 107503711) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-pyridinyl)-N-ethylhexan-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-pyridinyl)-N-ethylhexan-1-amine
PubChem CID107503711
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-(2,6-dimethyl-4-pyridinyl)-N-ethylhexan-1-amine
SMILESCCCCCC(NCC)c1cc(C)nc(C)c1
InChIInChI=1S/C15H26N2/c1-5-7-8-9-15(16-6-2)14-10-12(3)17-13(4)11-14/h10-11,15-16H,5-9H2,1-4H3
InChIKeyLINIFLMVDDVDFF-UHFFFAOYSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(6-methyl-3-pyridinyl)undecan-1-amine
CID 105138195
N-ethyl-1-(6-methyl-3-pyridinyl)octan-1-amine
CID 115855028
N-ethyl-1-(5-methylfuran-3-yl)decan-1-amine
CID 115831656
1-(2,6-dimethyl-3-pyridinyl)-N-ethyloctan-1-amine
CID 105124811
1-(2,6-dimethyl-4-pyridinyl)-N-methylbutan-1-amine
CID 107503528
N-ethyl-1-(2,3,5,6-tetramethylphenyl)hexan-1-amine
CID 43490948
1-(4-chlorophenyl)-N-ethylhexan-1-amine
CID 43488947
N-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 43491113
1-(5-bromothiophen-3-yl)-N-ethylhexan-1-amine
CID 105129603
1-(4-chloro-3-methylphenyl)-N-ethyloctan-1-amine
CID 115832279
1-(3-bromo-5-fluorophenyl)-N-ethylnonan-1-amine
CID 66424848
1-(2,5-dimethylpyrazol-3-yl)-N-ethylheptan-1-amine
CID 105125896

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-N-ethylhexan-1-amine?
The IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-N-ethylhexan-1-amine (CID 107503711) is 1-(2,6-dimethyl-4-pyridinyl)-N-ethylhexan-1-amine.
What is the SMILES notation for 1-(2,6-dimethyl-4-pyridinyl)-N-ethylhexan-1-amine?
The canonical SMILES for 1-(2,6-dimethyl-4-pyridinyl)-N-ethylhexan-1-amine is CCCCCC(NCC)c1cc(C)nc(C)c1.
What is the InChIKey of 1-(2,6-dimethyl-4-pyridinyl)-N-ethylhexan-1-amine?
The InChIKey is LINIFLMVDDVDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-7-8-9-15(16-6-2)14-10-12(3)17-13(4)11-14/h10-11,15-16H,5-9H2,1-4H3.
What are the key properties of 1-(2,6-dimethyl-4-pyridinyl)-N-ethylhexan-1-amine?
1-(2,6-dimethyl-4-pyridinyl)-N-ethylhexan-1-amine has a molecular weight of 234.39 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4-pyridinyl)-N-ethylhexan-1-amine is sourced from PubChem (CID 107503711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).