1-(2,6-dimethyl-3-pyridinyl)-N-ethyloctan-1-amine

C17H30N2 — CID 105124811

IUPAC1-(2,6-dimethyl-3-pyridinyl)-N-ethyloctan-1-amine
SMILESCCCCCCCC(NCC)c1ccc(C)nc1C
InChIInChI=1S/C17H30N2/c1-5-7-8-9-10-11-17(18-6-2)16-13-12-14(3)19-15(16)4/h12-13,17-18H,5-11H2,1-4H3
InChIKeyMRKWZGJHCUZRJK-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.71
Rot. Bonds9

About 1-(2,6-dimethyl-3-pyridinyl)-N-ethyloctan-1-amine

1-(2,6-dimethyl-3-pyridinyl)-N-ethyloctan-1-amine (PubChem CID 105124811) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(2,6-dimethyl-3-pyridinyl)-N-ethyloctan-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethyl-3-pyridinyl)-N-ethyloctan-1-amine
PubChem CID105124811
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-(2,6-dimethyl-3-pyridinyl)-N-ethyloctan-1-amine
SMILESCCCCCCCC(NCC)c1ccc(C)nc1C
InChIInChI=1S/C17H30N2/c1-5-7-8-9-10-11-17(18-6-2)16-13-12-14(3)19-15(16)4/h12-13,17-18H,5-11H2,1-4H3
InChIKeyMRKWZGJHCUZRJK-UHFFFAOYSA-N
XLogP4.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.71
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

1-(2,6-dimethyl-3-pyridinyl)-N-ethylbutan-1-amine
CID 105080327
1-(2,6-dimethyl-3-pyridinyl)-N-methyloctan-1-amine
CID 105124721
1-(2,6-dimethyl-3-pyridinyl)heptylhydrazine
CID 105293944
1-(2,6-dimethyl-3-pyridinyl)-N-ethyl-4-phenylbutan-1-amine
CID 105139820
1-(2,6-dimethyl-3-pyridinyl)nonan-1-ol
CID 105085795
1-(2,6-dimethyl-3-pyridinyl)-N-methylpentan-1-amine
CID 105125315
1-(2,6-dimethyl-3-pyridinyl)hexan-1-ol
CID 105086146
1-(2,6-dimethyl-3-pyridinyl)-N-propyloct-7-en-1-amine
CID 107011930
N-ethyl-1-[2-[1-(ethylamino)tridecyl]phenyl]tridecan-1-amine
CID 57251881
1-(2,3-difluoro-4-methylphenyl)-N-ethyloctan-1-amine
CID 107515605
N-ethyl-1-(6-methyl-3-pyridinyl)undecan-1-amine
CID 105138195
N-ethyl-1-(6-methyl-3-pyridinyl)octan-1-amine
CID 115855028

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-N-ethyloctan-1-amine?
The IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-N-ethyloctan-1-amine (CID 105124811) is 1-(2,6-dimethyl-3-pyridinyl)-N-ethyloctan-1-amine.
What is the SMILES notation for 1-(2,6-dimethyl-3-pyridinyl)-N-ethyloctan-1-amine?
The canonical SMILES for 1-(2,6-dimethyl-3-pyridinyl)-N-ethyloctan-1-amine is CCCCCCCC(NCC)c1ccc(C)nc1C.
What is the InChIKey of 1-(2,6-dimethyl-3-pyridinyl)-N-ethyloctan-1-amine?
The InChIKey is MRKWZGJHCUZRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-7-8-9-10-11-17(18-6-2)16-13-12-14(3)19-15(16)4/h12-13,17-18H,5-11H2,1-4H3.
What are the key properties of 1-(2,6-dimethyl-3-pyridinyl)-N-ethyloctan-1-amine?
1-(2,6-dimethyl-3-pyridinyl)-N-ethyloctan-1-amine has a molecular weight of 262.44 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-3-pyridinyl)-N-ethyloctan-1-amine is sourced from PubChem (CID 105124811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).