4-[2-methyl-3-(5-propan-2-yl-2-pyridinyl)propyl]-2-propan-2-yl-6-propylpyridine

C23H34N2 — CID 134374464

IUPAC4-[2-methyl-3-(5-propan-2-yl-2-pyridinyl)propyl]-2-propan-2-yl-6-propylpyridine
SMILESCCCc1cc(CC(C)Cc2ccc(C(C)C)cn2)cc(C(C)C)n1
InChIInChI=1S/C23H34N2/c1-7-8-22-13-19(14-23(25-22)17(4)5)11-18(6)12-21-10-9-20(15-24-21)16(2)3/h9-10,13-18H,7-8,11-12H2,1-6H3
InChIKeyGUDQWYLMARZJRR-UHFFFAOYSA-N
MW338.54 g/mol
LogP6.10
Rot. Bonds8

About 4-[2-methyl-3-(5-propan-2-yl-2-pyridinyl)propyl]-2-propan-2-yl-6-propylpyridine

4-[2-methyl-3-(5-propan-2-yl-2-pyridinyl)propyl]-2-propan-2-yl-6-propylpyridine (PubChem CID 134374464) has the molecular formula C23H34N2 and a molecular weight of 338.54 g/mol. Its IUPAC name is 4-[2-methyl-3-(5-propan-2-yl-2-pyridinyl)propyl]-2-propan-2-yl-6-propylpyridine.

Molecular Properties

Compound Name4-[2-methyl-3-(5-propan-2-yl-2-pyridinyl)propyl]-2-propan-2-yl-6-propylpyridine
PubChem CID134374464
Molecular FormulaC23H34N2
Molecular Weight338.54 g/mol
Exact Mass338.27
IUPAC Name4-[2-methyl-3-(5-propan-2-yl-2-pyridinyl)propyl]-2-propan-2-yl-6-propylpyridine
SMILESCCCc1cc(CC(C)Cc2ccc(C(C)C)cn2)cc(C(C)C)n1
InChIInChI=1S/C23H34N2/c1-7-8-22-13-19(14-23(25-22)17(4)5)11-18(6)12-21-10-9-20(15-24-21)16(2)3/h9-10,13-18H,7-8,11-12H2,1-6H3
InChIKeyGUDQWYLMARZJRR-UHFFFAOYSA-N
XLogP6.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.54
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-3-(5-propan-2-yl-2-pyridinyl)propyl]-2-propan-2-yl-6-propylpyridine?
The IUPAC name of 4-[2-methyl-3-(5-propan-2-yl-2-pyridinyl)propyl]-2-propan-2-yl-6-propylpyridine (CID 134374464) is 4-[2-methyl-3-(5-propan-2-yl-2-pyridinyl)propyl]-2-propan-2-yl-6-propylpyridine.
What is the SMILES notation for 4-[2-methyl-3-(5-propan-2-yl-2-pyridinyl)propyl]-2-propan-2-yl-6-propylpyridine?
The canonical SMILES for 4-[2-methyl-3-(5-propan-2-yl-2-pyridinyl)propyl]-2-propan-2-yl-6-propylpyridine is CCCc1cc(CC(C)Cc2ccc(C(C)C)cn2)cc(C(C)C)n1.
What is the InChIKey of 4-[2-methyl-3-(5-propan-2-yl-2-pyridinyl)propyl]-2-propan-2-yl-6-propylpyridine?
The InChIKey is GUDQWYLMARZJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2/c1-7-8-22-13-19(14-23(25-22)17(4)5)11-18(6)12-21-10-9-20(15-24-21)16(2)3/h9-10,13-18H,7-8,11-12H2,1-6H3.
What are the key properties of 4-[2-methyl-3-(5-propan-2-yl-2-pyridinyl)propyl]-2-propan-2-yl-6-propylpyridine?
4-[2-methyl-3-(5-propan-2-yl-2-pyridinyl)propyl]-2-propan-2-yl-6-propylpyridine has a molecular weight of 338.54 g/mol, XLogP of 6.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-(5-propan-2-yl-2-pyridinyl)propyl]-2-propan-2-yl-6-propylpyridine is sourced from PubChem (CID 134374464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).