3-(2,2-dimethylpropyl)-5-propylpyridine

C13H21N — CID 129191291

IUPAC3-(2,2-dimethylpropyl)-5-propylpyridine
SMILESCCCc1cncc(CC(C)(C)C)c1
InChIInChI=1S/C13H21N/c1-5-6-11-7-12(10-14-9-11)8-13(2,3)4/h7,9-10H,5-6,8H2,1-4H3
InChIKeyFMKIPLPJHMIGQE-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.62
Rot. Bonds3

About 3-(2,2-dimethylpropyl)-5-propylpyridine

3-(2,2-dimethylpropyl)-5-propylpyridine (PubChem CID 129191291) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-5-propylpyridine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-5-propylpyridine
PubChem CID129191291
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name3-(2,2-dimethylpropyl)-5-propylpyridine
SMILESCCCc1cncc(CC(C)(C)C)c1
InChIInChI=1S/C13H21N/c1-5-6-11-7-12(10-14-9-11)8-13(2,3)4/h7,9-10H,5-6,8H2,1-4H3
InChIKeyFMKIPLPJHMIGQE-UHFFFAOYSA-N
XLogP3.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(2,2-dimethylpropyl)-5-propylbenzene
CID 171405016
3-(2,2-dimethylpropyl)-5-(2,2-dimethyl-3-pyridin-4-ylpropyl)pyridine
CID 167168782
1-tert-butyl-3-(2,2-dimethylpropyl)benzene;1-(2,2-dimethylpropyl)-3-propylbenzene
CID 145400173
[5-(3,3-dimethylbutyl)-3-pyridinyl]methanamine
CID 142361308
3-tert-butyl-5-(3,3-dimethylbutyl)pyridine
CID 139460121
3-cyclobutyl-5-propylpyridine
CID 166825450
2-(2,2-dimethylpropyl)-1-methyl-4-propylbenzene
CID 144633888
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
3-[2,2-bis(bromomethyl)pentyl]-5-bromopyridine
CID 104813519
5-butylpyridin-3-amine;ethane;molecular hydrogen
CID 164917001
3-(5-bromo-3-pyridinyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 104810566
4-(2,2-dimethylpropyl)pyridine
CID 22960904

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-5-propylpyridine?
The IUPAC name of 3-(2,2-dimethylpropyl)-5-propylpyridine (CID 129191291) is 3-(2,2-dimethylpropyl)-5-propylpyridine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-5-propylpyridine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-5-propylpyridine is CCCc1cncc(CC(C)(C)C)c1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-5-propylpyridine?
The InChIKey is FMKIPLPJHMIGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-5-6-11-7-12(10-14-9-11)8-13(2,3)4/h7,9-10H,5-6,8H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-5-propylpyridine?
3-(2,2-dimethylpropyl)-5-propylpyridine has a molecular weight of 191.32 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-5-propylpyridine is sourced from PubChem (CID 129191291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).