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

C16H28N2 — CID 105124721

IUPAC1-(2,6-dimethyl-3-pyridinyl)-N-methyloctan-1-amine
SMILESCCCCCCCC(NC)c1ccc(C)nc1C
InChIInChI=1S/C16H28N2/c1-5-6-7-8-9-10-16(17-4)15-12-11-13(2)18-14(15)3/h11-12,16-17H,5-10H2,1-4H3
InChIKeyIBUZYCUKVVQGOY-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.32
Rot. Bonds8

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

1-(2,6-dimethyl-3-pyridinyl)-N-methyloctan-1-amine (PubChem CID 105124721) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-(2,6-dimethyl-3-pyridinyl)-N-methyloctan-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethyl-3-pyridinyl)-N-methyloctan-1-amine
PubChem CID105124721
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-(2,6-dimethyl-3-pyridinyl)-N-methyloctan-1-amine
SMILESCCCCCCCC(NC)c1ccc(C)nc1C
InChIInChI=1S/C16H28N2/c1-5-6-7-8-9-10-16(17-4)15-12-11-13(2)18-14(15)3/h11-12,16-17H,5-10H2,1-4H3
InChIKeyIBUZYCUKVVQGOY-UHFFFAOYSA-N
XLogP4.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.32
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-methylpentan-1-amine
CID 105125315
1-(2,6-dimethyl-3-pyridinyl)-N-methylbutan-1-amine
CID 105080249
1-(2,6-dimethyl-3-pyridinyl)heptylhydrazine
CID 105293944
1-(2,6-dimethyl-3-pyridinyl)-N-ethyloctan-1-amine
CID 105124811
1-(2,6-dimethyl-3-pyridinyl)nonan-1-ol
CID 105085795
1-(2,6-dimethyl-3-pyridinyl)-3-ethyl-N-methylheptan-1-amine
CID 105102919
1-(2,6-dimethyl-3-pyridinyl)-N-methylpropan-1-amine
CID 105078634
1-(2,6-dimethyl-3-pyridinyl)hexan-1-ol
CID 105086146
N-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine
CID 105124578
N-methyl-1-[2-[1-(methylamino)pentadecyl]phenyl]pentadecan-1-amine
CID 57228103
1-(2,4-dimethylphenyl)-N-methylundecan-1-amine
CID 115845807
1-(2,6-dimethyl-3-pyridinyl)-N-methylhex-4-yn-1-amine
CID 105181422

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-N-methyloctan-1-amine?
The IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-N-methyloctan-1-amine (CID 105124721) is 1-(2,6-dimethyl-3-pyridinyl)-N-methyloctan-1-amine.
What is the SMILES notation for 1-(2,6-dimethyl-3-pyridinyl)-N-methyloctan-1-amine?
The canonical SMILES for 1-(2,6-dimethyl-3-pyridinyl)-N-methyloctan-1-amine is CCCCCCCC(NC)c1ccc(C)nc1C.
What is the InChIKey of 1-(2,6-dimethyl-3-pyridinyl)-N-methyloctan-1-amine?
The InChIKey is IBUZYCUKVVQGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-6-7-8-9-10-16(17-4)15-12-11-13(2)18-14(15)3/h11-12,16-17H,5-10H2,1-4H3.
What are the key properties of 1-(2,6-dimethyl-3-pyridinyl)-N-methyloctan-1-amine?
1-(2,6-dimethyl-3-pyridinyl)-N-methyloctan-1-amine has a molecular weight of 248.41 g/mol, XLogP of 4.32, 8 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-methyloctan-1-amine is sourced from PubChem (CID 105124721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).