4-(2,3,4,4-tetramethyl-5-phenylhexan-3-yl)pyridine

C21H29N — CID 134181668

IUPAC4-(2,3,4,4-tetramethyl-5-phenylhexan-3-yl)pyridine
SMILESCC(c1ccccc1)C(C)(C)C(C)(c1ccncc1)C(C)C
InChIInChI=1S/C21H29N/c1-16(2)21(6,19-12-14-22-15-13-19)20(4,5)17(3)18-10-8-7-9-11-18/h7-17H,1-6H3
InChIKeyIPHPEQFSRJSABR-UHFFFAOYSA-N
MW295.47 g/mol
LogP5.83
Rot. Bonds5

About 4-(2,3,4,4-tetramethyl-5-phenylhexan-3-yl)pyridine

4-(2,3,4,4-tetramethyl-5-phenylhexan-3-yl)pyridine (PubChem CID 134181668) has the molecular formula C21H29N and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-(2,3,4,4-tetramethyl-5-phenylhexan-3-yl)pyridine.

Molecular Properties

Compound Name4-(2,3,4,4-tetramethyl-5-phenylhexan-3-yl)pyridine
PubChem CID134181668
Molecular FormulaC21H29N
Molecular Weight295.47 g/mol
Exact Mass295.23
IUPAC Name4-(2,3,4,4-tetramethyl-5-phenylhexan-3-yl)pyridine
SMILESCC(c1ccccc1)C(C)(C)C(C)(c1ccncc1)C(C)C
InChIInChI=1S/C21H29N/c1-16(2)21(6,19-12-14-22-15-13-19)20(4,5)17(3)18-10-8-7-9-11-18/h7-17H,1-6H3
InChIKeyIPHPEQFSRJSABR-UHFFFAOYSA-N
XLogP5.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.47
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,4-tetramethyl-5-phenylhexan-3-yl)pyridine?
The IUPAC name of 4-(2,3,4,4-tetramethyl-5-phenylhexan-3-yl)pyridine (CID 134181668) is 4-(2,3,4,4-tetramethyl-5-phenylhexan-3-yl)pyridine.
What is the SMILES notation for 4-(2,3,4,4-tetramethyl-5-phenylhexan-3-yl)pyridine?
The canonical SMILES for 4-(2,3,4,4-tetramethyl-5-phenylhexan-3-yl)pyridine is CC(c1ccccc1)C(C)(C)C(C)(c1ccncc1)C(C)C.
What is the InChIKey of 4-(2,3,4,4-tetramethyl-5-phenylhexan-3-yl)pyridine?
The InChIKey is IPHPEQFSRJSABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N/c1-16(2)21(6,19-12-14-22-15-13-19)20(4,5)17(3)18-10-8-7-9-11-18/h7-17H,1-6H3.
What are the key properties of 4-(2,3,4,4-tetramethyl-5-phenylhexan-3-yl)pyridine?
4-(2,3,4,4-tetramethyl-5-phenylhexan-3-yl)pyridine has a molecular weight of 295.47 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,4-tetramethyl-5-phenylhexan-3-yl)pyridine is sourced from PubChem (CID 134181668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).