1-(2,6-dimethyl-3-pyridinyl)-N-propyloct-7-en-1-amine

C18H30N2 — CID 107011930

IUPAC1-(2,6-dimethyl-3-pyridinyl)-N-propyloct-7-en-1-amine
SMILESC=CCCCCCC(NCCC)c1ccc(C)nc1C
InChIInChI=1S/C18H30N2/c1-5-7-8-9-10-11-18(19-14-6-2)17-13-12-15(3)20-16(17)4/h5,12-13,18-19H,1,6-11,14H2,2-4H3
InChIKeyVGVPSHLYQUPSQO-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.88
Rot. Bonds10

About 1-(2,6-dimethyl-3-pyridinyl)-N-propyloct-7-en-1-amine

1-(2,6-dimethyl-3-pyridinyl)-N-propyloct-7-en-1-amine (PubChem CID 107011930) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(2,6-dimethyl-3-pyridinyl)-N-propyloct-7-en-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethyl-3-pyridinyl)-N-propyloct-7-en-1-amine
PubChem CID107011930
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(2,6-dimethyl-3-pyridinyl)-N-propyloct-7-en-1-amine
SMILESC=CCCCCCC(NCCC)c1ccc(C)nc1C
InChIInChI=1S/C18H30N2/c1-5-7-8-9-10-11-18(19-14-6-2)17-13-12-15(3)20-16(17)4/h5,12-13,18-19H,1,6-11,14H2,2-4H3
InChIKeyVGVPSHLYQUPSQO-UHFFFAOYSA-N
XLogP4.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dimethyl-3-pyridinyl)-N-ethyloctan-1-amine
CID 105124811
1-(5-bromo-2-methylphenyl)-N-propyloct-7-en-1-amine
CID 107011647
1-(2-bromophenyl)-N-propyloct-7-en-1-amine
CID 107008962
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propyloct-7-en-1-amine
CID 107012014
1-(3,5-dimethylphenyl)-N-propyloct-7-en-1-amine
CID 107011718
1-(2,6-dimethyl-3-pyridinyl)-N-methyloctan-1-amine
CID 105124721
N-propyl-1-pyridin-2-yloct-7-en-1-amine
CID 107008851
1-(2,6-dimethyl-3-pyridinyl)-3-methyl-N-propylhexan-1-amine
CID 105137878
1-(1-methylimidazol-2-yl)-N-propyloct-7-en-1-amine
CID 107009559
1-(2,6-dimethyl-3-pyridinyl)heptylhydrazine
CID 105293944
1-(2,6-dimethyl-3-pyridinyl)-N-ethylbutan-1-amine
CID 105080327
N-[2-cyclopentyl-1-(2,6-dimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 105138910

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-N-propyloct-7-en-1-amine?
The IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-N-propyloct-7-en-1-amine (CID 107011930) is 1-(2,6-dimethyl-3-pyridinyl)-N-propyloct-7-en-1-amine.
What is the SMILES notation for 1-(2,6-dimethyl-3-pyridinyl)-N-propyloct-7-en-1-amine?
The canonical SMILES for 1-(2,6-dimethyl-3-pyridinyl)-N-propyloct-7-en-1-amine is C=CCCCCCC(NCCC)c1ccc(C)nc1C.
What is the InChIKey of 1-(2,6-dimethyl-3-pyridinyl)-N-propyloct-7-en-1-amine?
The InChIKey is VGVPSHLYQUPSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-7-8-9-10-11-18(19-14-6-2)17-13-12-15(3)20-16(17)4/h5,12-13,18-19H,1,6-11,14H2,2-4H3.
What are the key properties of 1-(2,6-dimethyl-3-pyridinyl)-N-propyloct-7-en-1-amine?
1-(2,6-dimethyl-3-pyridinyl)-N-propyloct-7-en-1-amine has a molecular weight of 274.45 g/mol, XLogP of 4.88, 10 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-propyloct-7-en-1-amine is sourced from PubChem (CID 107011930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).