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

C12H20N2 — CID 105080249

IUPAC1-(2,6-dimethyl-3-pyridinyl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1ccc(C)nc1C
InChIInChI=1S/C12H20N2/c1-5-6-12(13-4)11-8-7-9(2)14-10(11)3/h7-8,12-13H,5-6H2,1-4H3
InChIKeyFFSNHVUBMYWMME-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.76
Rot. Bonds4

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

1-(2,6-dimethyl-3-pyridinyl)-N-methylbutan-1-amine (PubChem CID 105080249) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(2,6-dimethyl-3-pyridinyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethyl-3-pyridinyl)-N-methylbutan-1-amine
PubChem CID105080249
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-(2,6-dimethyl-3-pyridinyl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1ccc(C)nc1C
InChIInChI=1S/C12H20N2/c1-5-6-12(13-4)11-8-7-9(2)14-10(11)3/h7-8,12-13H,5-6H2,1-4H3
InChIKeyFFSNHVUBMYWMME-UHFFFAOYSA-N
XLogP2.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-methyloctan-1-amine
CID 105124721
1-(2,6-dimethyl-3-pyridinyl)-N-methylpropan-1-amine
CID 105078634
1-(2,6-dimethyl-3-pyridinyl)-N-ethylbutan-1-amine
CID 105080327
1-(2,6-dimethyl-3-pyridinyl)-N-methylhex-4-yn-1-amine
CID 105181422
1-(2,6-dimethyl-3-pyridinyl)-3-ethyl-N-methylheptan-1-amine
CID 105102919
1-(2,6-dimethyl-3-pyridinyl)-N,3-dimethylbut-3-en-1-amine
CID 105162978
1-(2,6-dimethyl-3-pyridinyl)-3-methyl-N-propylhexan-1-amine
CID 105137878
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)pentan-1-ol
CID 105085207
1-(2,6-dimethyl-4-pyridinyl)-N-methylbutan-1-amine
CID 107503528

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-N-methylbutan-1-amine?
The IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-N-methylbutan-1-amine (CID 105080249) is 1-(2,6-dimethyl-3-pyridinyl)-N-methylbutan-1-amine.
What is the SMILES notation for 1-(2,6-dimethyl-3-pyridinyl)-N-methylbutan-1-amine?
The canonical SMILES for 1-(2,6-dimethyl-3-pyridinyl)-N-methylbutan-1-amine is CCCC(NC)c1ccc(C)nc1C.
What is the InChIKey of 1-(2,6-dimethyl-3-pyridinyl)-N-methylbutan-1-amine?
The InChIKey is FFSNHVUBMYWMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-6-12(13-4)11-8-7-9(2)14-10(11)3/h7-8,12-13H,5-6H2,1-4H3.
What are the key properties of 1-(2,6-dimethyl-3-pyridinyl)-N-methylbutan-1-amine?
1-(2,6-dimethyl-3-pyridinyl)-N-methylbutan-1-amine has a molecular weight of 192.31 g/mol, XLogP of 2.76, 4 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-methylbutan-1-amine is sourced from PubChem (CID 105080249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).