5-(3,3-dimethylbutan-2-yl)-2-methylpyridine

C12H19N — CID 59623693

IUPAC5-(3,3-dimethylbutan-2-yl)-2-methylpyridine
SMILESCc1ccc(C(C)C(C)(C)C)cn1
InChIInChI=1S/C12H19N/c1-9-6-7-11(8-13-9)10(2)12(3,4)5/h6-8,10H,1-5H3
InChIKeyDUMBVNAUQJLKKH-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.54
Rot. Bonds1

About 5-(3,3-dimethylbutan-2-yl)-2-methylpyridine

5-(3,3-dimethylbutan-2-yl)-2-methylpyridine (PubChem CID 59623693) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 5-(3,3-dimethylbutan-2-yl)-2-methylpyridine.

Molecular Properties

Compound Name5-(3,3-dimethylbutan-2-yl)-2-methylpyridine
PubChem CID59623693
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name5-(3,3-dimethylbutan-2-yl)-2-methylpyridine
SMILESCc1ccc(C(C)C(C)(C)C)cn1
InChIInChI=1S/C12H19N/c1-9-6-7-11(8-13-9)10(2)12(3,4)5/h6-8,10H,1-5H3
InChIKeyDUMBVNAUQJLKKH-UHFFFAOYSA-N
XLogP3.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3,3-dimethylbutan-2-yl)-2-(4-propan-2-ylphenyl)pyridine;ethane
CID 169257531
1-[(2S)-3,3-dimethylbutan-2-yl]-4-methylbenzene
CID 58051727
imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane
CID 58206002
2-(6-methyl-3-pyridinyl)propan-1-amine
CID 81021181
2-methoxy-2-methyl-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 79197654
(6-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanamine
CID 55164666
N-(3,3-dimethylbutan-2-yl)-6-methylpyridin-3-amine
CID 115921577
5-(3,3-dimethylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine
CID 139545732
5-(3,3-dimethylbutan-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-thiazole
CID 130390654
methyl 3-methyl-2-(6-methyl-3-pyridinyl)butanoate
CID 63158206
N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155732
1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine
CID 59414393

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutan-2-yl)-2-methylpyridine?
The IUPAC name of 5-(3,3-dimethylbutan-2-yl)-2-methylpyridine (CID 59623693) is 5-(3,3-dimethylbutan-2-yl)-2-methylpyridine.
What is the SMILES notation for 5-(3,3-dimethylbutan-2-yl)-2-methylpyridine?
The canonical SMILES for 5-(3,3-dimethylbutan-2-yl)-2-methylpyridine is Cc1ccc(C(C)C(C)(C)C)cn1.
What is the InChIKey of 5-(3,3-dimethylbutan-2-yl)-2-methylpyridine?
The InChIKey is DUMBVNAUQJLKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-9-6-7-11(8-13-9)10(2)12(3,4)5/h6-8,10H,1-5H3.
What are the key properties of 5-(3,3-dimethylbutan-2-yl)-2-methylpyridine?
5-(3,3-dimethylbutan-2-yl)-2-methylpyridine has a molecular weight of 177.29 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutan-2-yl)-2-methylpyridine is sourced from PubChem (CID 59623693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).