4-(3,3-dimethylpentan-2-yl)pyridine

C12H19N — CID 144548059

IUPAC4-(3,3-dimethylpentan-2-yl)pyridine
SMILESCCC(C)(C)C(C)c1ccncc1
InChIInChI=1S/C12H19N/c1-5-12(3,4)10(2)11-6-8-13-9-7-11/h6-10H,5H2,1-4H3
InChIKeyIWZPMJLAHSGWGL-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.62
Rot. Bonds3

About 4-(3,3-dimethylpentan-2-yl)pyridine

4-(3,3-dimethylpentan-2-yl)pyridine (PubChem CID 144548059) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 4-(3,3-dimethylpentan-2-yl)pyridine.

Molecular Properties

Compound Name4-(3,3-dimethylpentan-2-yl)pyridine
PubChem CID144548059
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name4-(3,3-dimethylpentan-2-yl)pyridine
SMILESCCC(C)(C)C(C)c1ccncc1
InChIInChI=1S/C12H19N/c1-5-12(3,4)10(2)11-6-8-13-9-7-11/h6-10H,5H2,1-4H3
InChIKeyIWZPMJLAHSGWGL-UHFFFAOYSA-N
XLogP3.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3,3,6,6-tetramethyloctan-4-yl)pyridine
CID 142064689
1-(3,3-dimethylpentan-2-yl)-4-methoxybenzene
CID 173309676
2,2-dimethyl-N-(1-pyridin-4-ylethyl)butan-1-amine
CID 103460442
4-[(2S)-pentan-2-yl]pyridine
CID 166675231
1-amino-2-pyridin-4-yl-1-pyrimidin-2-ylpropan-1-ol
CID 69246059
2,2-dimethyl-N-(1-pyridin-4-ylethyl)pentan-3-amine
CID 115880423
zinc tetrakis(4-pentan-3-ylpyridine)
CID 50909730
tris(4-propan-2-ylpyridine);trichlorochromium
CID 19688799
(1S)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine
CID 94424618
3-[(1-pyridin-4-ylethylamino)methyl]pentan-3-ol
CID 65107876
2-methyl-2-methylsulfanyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 115664278
(1R)-1-pyridin-4-ylethanethiol
CID 92977193

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylpentan-2-yl)pyridine?
The IUPAC name of 4-(3,3-dimethylpentan-2-yl)pyridine (CID 144548059) is 4-(3,3-dimethylpentan-2-yl)pyridine.
What is the SMILES notation for 4-(3,3-dimethylpentan-2-yl)pyridine?
The canonical SMILES for 4-(3,3-dimethylpentan-2-yl)pyridine is CCC(C)(C)C(C)c1ccncc1.
What is the InChIKey of 4-(3,3-dimethylpentan-2-yl)pyridine?
The InChIKey is IWZPMJLAHSGWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-5-12(3,4)10(2)11-6-8-13-9-7-11/h6-10H,5H2,1-4H3.
What are the key properties of 4-(3,3-dimethylpentan-2-yl)pyridine?
4-(3,3-dimethylpentan-2-yl)pyridine has a molecular weight of 177.29 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylpentan-2-yl)pyridine is sourced from PubChem (CID 144548059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).