4-(3,3,6,6-tetramethyloctan-4-yl)pyridine

C17H29N — CID 142064689

IUPAC4-(3,3,6,6-tetramethyloctan-4-yl)pyridine
SMILESCCC(C)(C)CC(c1ccncc1)C(C)(C)CC
InChIInChI=1S/C17H29N/c1-7-16(3,4)13-15(17(5,6)8-2)14-9-11-18-12-10-14/h9-12,15H,7-8,13H2,1-6H3
InChIKeyHHLIVWFJXJXWMY-UHFFFAOYSA-N
MW247.43 g/mol
LogP5.43
Rot. Bonds6

About 4-(3,3,6,6-tetramethyloctan-4-yl)pyridine

4-(3,3,6,6-tetramethyloctan-4-yl)pyridine (PubChem CID 142064689) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 4-(3,3,6,6-tetramethyloctan-4-yl)pyridine.

Molecular Properties

Compound Name4-(3,3,6,6-tetramethyloctan-4-yl)pyridine
PubChem CID142064689
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name4-(3,3,6,6-tetramethyloctan-4-yl)pyridine
SMILESCCC(C)(C)CC(c1ccncc1)C(C)(C)CC
InChIInChI=1S/C17H29N/c1-7-16(3,4)13-15(17(5,6)8-2)14-9-11-18-12-10-14/h9-12,15H,7-8,13H2,1-6H3
InChIKeyHHLIVWFJXJXWMY-UHFFFAOYSA-N
XLogP5.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(3,3,6,6-tetramethyloctan-4-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,3-dimethylpentan-2-yl)pyridine
CID 144548059
2,2-dimethyl-N-(1-pyridin-4-ylethyl)butan-1-amine
CID 103460442
(1S)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine
CID 94424618
zinc tetrakis(4-pentan-3-ylpyridine)
CID 50909730
(1S)-1-pyridin-4-ylpropan-1-amine
CID 26722519
(1R)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine;hydrochloride
CID 171246376
5,5-dimethyl-3-pyridin-4-ylhexan-2-one
CID 102483354
4-(diethoxymethyl)pyridine
CID 15389192
N-methyl-2,2-dipyridin-4-ylethanamine
CID 116824958
4-[(2S)-pentan-2-yl]pyridine
CID 166675231
4-(2,2-dimethylpropyl)pyridine
CID 22960904
2,2-dimethyl-N-(1-pyridin-4-ylethyl)pentan-3-amine
CID 115880423

Frequently Asked Questions

What is the IUPAC name of 4-(3,3,6,6-tetramethyloctan-4-yl)pyridine?
The IUPAC name of 4-(3,3,6,6-tetramethyloctan-4-yl)pyridine (CID 142064689) is 4-(3,3,6,6-tetramethyloctan-4-yl)pyridine.
What is the SMILES notation for 4-(3,3,6,6-tetramethyloctan-4-yl)pyridine?
The canonical SMILES for 4-(3,3,6,6-tetramethyloctan-4-yl)pyridine is CCC(C)(C)CC(c1ccncc1)C(C)(C)CC.
What is the InChIKey of 4-(3,3,6,6-tetramethyloctan-4-yl)pyridine?
The InChIKey is HHLIVWFJXJXWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-7-16(3,4)13-15(17(5,6)8-2)14-9-11-18-12-10-14/h9-12,15H,7-8,13H2,1-6H3.
What are the key properties of 4-(3,3,6,6-tetramethyloctan-4-yl)pyridine?
4-(3,3,6,6-tetramethyloctan-4-yl)pyridine has a molecular weight of 247.43 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,6,6-tetramethyloctan-4-yl)pyridine is sourced from PubChem (CID 142064689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).