pyridine;2,3,4-trimethylpentane

C13H23N — CID 90280949

IUPACpyridine;2,3,4-trimethylpentane
SMILESCC(C)C(C)C(C)C.c1ccncc1
InChIInChI=1S/C8H18.C5H5N/c1-6(2)8(5)7(3)4;1-2-4-6-5-3-1/h6-8H,1-5H3;1-5H
InChIKeyPINZRXSUGIFXIU-UHFFFAOYSA-N
MW193.33 g/mol
LogP4.02
Rot. Bonds2

About pyridine;2,3,4-trimethylpentane

pyridine;2,3,4-trimethylpentane (PubChem CID 90280949) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is pyridine;2,3,4-trimethylpentane.

Molecular Properties

Compound Namepyridine;2,3,4-trimethylpentane
PubChem CID90280949
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Namepyridine;2,3,4-trimethylpentane
SMILESCC(C)C(C)C(C)C.c1ccncc1
InChIInChI=1S/C8H18.C5H5N/c1-6(2)8(5)7(3)4;1-2-4-6-5-3-1/h6-8H,1-5H3;1-5H
InChIKeyPINZRXSUGIFXIU-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of pyridine;2,3,4-trimethylpentane?
The IUPAC name of pyridine;2,3,4-trimethylpentane (CID 90280949) is pyridine;2,3,4-trimethylpentane.
What is the SMILES notation for pyridine;2,3,4-trimethylpentane?
The canonical SMILES for pyridine;2,3,4-trimethylpentane is CC(C)C(C)C(C)C.c1ccncc1.
What is the InChIKey of pyridine;2,3,4-trimethylpentane?
The InChIKey is PINZRXSUGIFXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C5H5N/c1-6(2)8(5)7(3)4;1-2-4-6-5-3-1/h6-8H,1-5H3;1-5H.
What are the key properties of pyridine;2,3,4-trimethylpentane?
pyridine;2,3,4-trimethylpentane has a molecular weight of 193.33 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine;2,3,4-trimethylpentane is sourced from PubChem (CID 90280949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).