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

C13H20N2 — CID 105163290

IUPAC1-(2,6-dimethyl-3-pyridinyl)-N,3-dimethylbut-2-en-1-amine
SMILESCNC(C=C(C)C)c1ccc(C)nc1C
InChIInChI=1S/C13H20N2/c1-9(2)8-13(14-5)12-7-6-10(3)15-11(12)4/h6-8,13-14H,1-5H3
InChIKeyCPHGVNAPTHITPM-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.93
Rot. Bonds3

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

1-(2,6-dimethyl-3-pyridinyl)-N,3-dimethylbut-2-en-1-amine (PubChem CID 105163290) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-(2,6-dimethyl-3-pyridinyl)-N,3-dimethylbut-2-en-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethyl-3-pyridinyl)-N,3-dimethylbut-2-en-1-amine
PubChem CID105163290
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-(2,6-dimethyl-3-pyridinyl)-N,3-dimethylbut-2-en-1-amine
SMILESCNC(C=C(C)C)c1ccc(C)nc1C
InChIInChI=1S/C13H20N2/c1-9(2)8-13(14-5)12-7-6-10(3)15-11(12)4/h6-8,13-14H,1-5H3
InChIKeyCPHGVNAPTHITPM-UHFFFAOYSA-N
XLogP2.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dimethyl-3-pyridinyl)-N,3-dimethylbut-3-en-1-amine
CID 105162978
1-(2,6-dimethyl-3-pyridinyl)-N-methylpropan-1-amine
CID 105078634
1-(2,6-dimethyl-3-pyridinyl)prop-2-enylhydrazine
CID 105317974
bis(2,6-dimethyl-3-pyridinyl)methanol
CID 141423650
1-(2,6-dimethyl-3-pyridinyl)-N-methylbutan-1-amine
CID 105080249
1-(2,4-dimethoxyphenyl)-N,3-dimethylbut-2-en-1-amine
CID 105004391
1-(2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-ol
CID 105133610
1-(2,6-dimethyl-3-pyridinyl)-N-methylpentan-1-amine
CID 105125315
1-(3-ethyl-1-methylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine
CID 102812579
N,3-dimethyl-1-(3-methyl-2-pyridinyl)but-2-en-1-amine
CID 79190959
3-amino-3-(2,6-dimethyl-3-pyridinyl)propanoic acid
CID 55296014
(2R)-2-amino-2-(2,6-dimethyl-3-pyridinyl)ethanol
CID 96740448

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-N,3-dimethylbut-2-en-1-amine?
The IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-N,3-dimethylbut-2-en-1-amine (CID 105163290) is 1-(2,6-dimethyl-3-pyridinyl)-N,3-dimethylbut-2-en-1-amine.
What is the SMILES notation for 1-(2,6-dimethyl-3-pyridinyl)-N,3-dimethylbut-2-en-1-amine?
The canonical SMILES for 1-(2,6-dimethyl-3-pyridinyl)-N,3-dimethylbut-2-en-1-amine is CNC(C=C(C)C)c1ccc(C)nc1C.
What is the InChIKey of 1-(2,6-dimethyl-3-pyridinyl)-N,3-dimethylbut-2-en-1-amine?
The InChIKey is CPHGVNAPTHITPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9(2)8-13(14-5)12-7-6-10(3)15-11(12)4/h6-8,13-14H,1-5H3.
What are the key properties of 1-(2,6-dimethyl-3-pyridinyl)-N,3-dimethylbut-2-en-1-amine?
1-(2,6-dimethyl-3-pyridinyl)-N,3-dimethylbut-2-en-1-amine has a molecular weight of 204.32 g/mol, XLogP of 2.93, 3 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,3-dimethylbut-2-en-1-amine is sourced from PubChem (CID 105163290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).