3-methylpyridine;propylbenzene;2-propylpyridine

C23H30N2 — CID 142009521

IUPAC3-methylpyridine;propylbenzene;2-propylpyridine
SMILESCCCc1ccccc1.CCCc1ccccn1.Cc1cccnc1
InChIInChI=1S/C9H12.C8H11N.C6H7N/c1-2-6-9-7-4-3-5-8-9;1-2-5-8-6-3-4-7-9-8;1-6-3-2-4-7-5-6/h3-5,7-8H,2,6H2,1H3;3-4,6-7H,2,5H2,1H3;2-5H,1H3
InChIKeyAHEUHXMSQNFBCU-UHFFFAOYSA-N
MW334.51 g/mol
LogP6.06
Rot. Bonds4

About 3-methylpyridine;propylbenzene;2-propylpyridine

3-methylpyridine;propylbenzene;2-propylpyridine (PubChem CID 142009521) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 3-methylpyridine;propylbenzene;2-propylpyridine.

Molecular Properties

Compound Name3-methylpyridine;propylbenzene;2-propylpyridine
PubChem CID142009521
Molecular FormulaC23H30N2
Molecular Weight334.51 g/mol
Exact Mass334.24
IUPAC Name3-methylpyridine;propylbenzene;2-propylpyridine
SMILESCCCc1ccccc1.CCCc1ccccn1.Cc1cccnc1
InChIInChI=1S/C9H12.C8H11N.C6H7N/c1-2-6-9-7-4-3-5-8-9;1-2-5-8-6-3-4-7-9-8;1-6-3-2-4-7-5-6/h3-5,7-8H,2,6H2,1H3;3-4,6-7H,2,5H2,1H3;2-5H,1H3
InChIKeyAHEUHXMSQNFBCU-UHFFFAOYSA-N
XLogP6.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.51
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylpyridine;propylbenzene;2-propylpyridine?
The IUPAC name of 3-methylpyridine;propylbenzene;2-propylpyridine (CID 142009521) is 3-methylpyridine;propylbenzene;2-propylpyridine.
What is the SMILES notation for 3-methylpyridine;propylbenzene;2-propylpyridine?
The canonical SMILES for 3-methylpyridine;propylbenzene;2-propylpyridine is CCCc1ccccc1.CCCc1ccccn1.Cc1cccnc1.
What is the InChIKey of 3-methylpyridine;propylbenzene;2-propylpyridine?
The InChIKey is AHEUHXMSQNFBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C8H11N.C6H7N/c1-2-6-9-7-4-3-5-8-9;1-2-5-8-6-3-4-7-9-8;1-6-3-2-4-7-5-6/h3-5,7-8H,2,6H2,1H3;3-4,6-7H,2,5H2,1H3;2-5H,1H3.
What are the key properties of 3-methylpyridine;propylbenzene;2-propylpyridine?
3-methylpyridine;propylbenzene;2-propylpyridine has a molecular weight of 334.51 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpyridine;propylbenzene;2-propylpyridine is sourced from PubChem (CID 142009521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).