pentane;2,4,6-trimethylpyridine

C13H23N — CID 162753467

IUPACpentane;2,4,6-trimethylpyridine
SMILESCCCCC.Cc1cc(C)nc(C)c1
InChIInChI=1S/C8H11N.C5H12/c1-6-4-7(2)9-8(3)5-6;1-3-5-4-2/h4-5H,1-3H3;3-5H2,1-2H3
InChIKeyIAMGVLPFJFAISD-UHFFFAOYSA-N
MW193.33 g/mol
LogP4.20
Rot. Bonds2

About pentane;2,4,6-trimethylpyridine

pentane;2,4,6-trimethylpyridine (PubChem CID 162753467) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is pentane;2,4,6-trimethylpyridine.

Molecular Properties

Compound Namepentane;2,4,6-trimethylpyridine
PubChem CID162753467
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Namepentane;2,4,6-trimethylpyridine
SMILESCCCCC.Cc1cc(C)nc(C)c1
InChIInChI=1S/C8H11N.C5H12/c1-6-4-7(2)9-8(3)5-6;1-3-5-4-2/h4-5H,1-3H3;3-5H2,1-2H3
InChIKeyIAMGVLPFJFAISD-UHFFFAOYSA-N
XLogP4.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

sulfane;2,4,6-trimethylpyridine
CID 69294176
copper;ethyl hypobromite;2,4,6-trimethylpyridine
CID 70454604
N-hexyl-4,6-dimethylpyridin-2-amine
CID 22105749
N-decyl-4,6-dimethylpyridin-2-amine
CID 151938350
iodanium;bis(2,4,6-trimethylpyridine);perchlorate
CID 11167278
CID 57358544
CID 57358544
N-(4,6-dimethyl-2-pyridinyl)hexanamide
CID 5075598
N-(4,6-dimethyl-2-pyridinyl)nonanamide
CID 4047413
2,6-dimethyl-N-pentadecylpyridin-4-amine
CID 173439602
4-methyl-2,6-dioctylpyridine
CID 66935754
CID 173082866
CID 173082866
ethane;pyridine;2,4,6-trimethylpyridine
CID 162731023

Frequently Asked Questions

What is the IUPAC name of pentane;2,4,6-trimethylpyridine?
The IUPAC name of pentane;2,4,6-trimethylpyridine (CID 162753467) is pentane;2,4,6-trimethylpyridine.
What is the SMILES notation for pentane;2,4,6-trimethylpyridine?
The canonical SMILES for pentane;2,4,6-trimethylpyridine is CCCCC.Cc1cc(C)nc(C)c1.
What is the InChIKey of pentane;2,4,6-trimethylpyridine?
The InChIKey is IAMGVLPFJFAISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C5H12/c1-6-4-7(2)9-8(3)5-6;1-3-5-4-2/h4-5H,1-3H3;3-5H2,1-2H3.
What are the key properties of pentane;2,4,6-trimethylpyridine?
pentane;2,4,6-trimethylpyridine has a molecular weight of 193.33 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentane;2,4,6-trimethylpyridine is sourced from PubChem (CID 162753467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).