3-hexan-3-yl-2-methylpyridine

C12H19N — CID 143825062

IUPAC3-hexan-3-yl-2-methylpyridine
SMILESCCCC(CC)c1cccnc1C
InChIInChI=1S/C12H19N/c1-4-7-11(5-2)12-8-6-9-13-10(12)3/h6,8-9,11H,4-5,7H2,1-3H3
InChIKeyFLWFPHCEYALTCI-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.68
Rot. Bonds4

About 3-hexan-3-yl-2-methylpyridine

3-hexan-3-yl-2-methylpyridine (PubChem CID 143825062) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-hexan-3-yl-2-methylpyridine.

Molecular Properties

Compound Name3-hexan-3-yl-2-methylpyridine
PubChem CID143825062
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name3-hexan-3-yl-2-methylpyridine
SMILESCCCC(CC)c1cccnc1C
InChIInChI=1S/C12H19N/c1-4-7-11(5-2)12-8-6-9-13-10(12)3/h6,8-9,11H,4-5,7H2,1-3H3
InChIKeyFLWFPHCEYALTCI-UHFFFAOYSA-N
XLogP3.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-heptan-4-yl-2-methylpyridine
CID 143825065
2-ethoxy-3-hexan-3-ylpyridine
CID 130368203
ethane;(1S)-1-(2-methyl-3-pyridinyl)propan-1-ol
CID 144739559
2-methyl-3-[1-(5-methyl-1H-imidazol-4-yl)butan-2-yl]pyridine
CID 143725116
1-(2-methyl-3-pyridinyl)tridecan-1-amine
CID 105138527
N-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine
CID 105124578
3-ethyl-1-(2-methyl-3-pyridinyl)pentan-1-amine
CID 105176719
ethane;2-methyl-3-propan-2-ylpyridine
CID 142858508
3-heptan-3-yl-2-pyridin-2-ylpyridine
CID 154256710
N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105082350
1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine
CID 105128020
ethane;2-methyl-3-propan-2-ylpyridine;vanadium
CID 143650392

Frequently Asked Questions

What is the IUPAC name of 3-hexan-3-yl-2-methylpyridine?
The IUPAC name of 3-hexan-3-yl-2-methylpyridine (CID 143825062) is 3-hexan-3-yl-2-methylpyridine.
What is the SMILES notation for 3-hexan-3-yl-2-methylpyridine?
The canonical SMILES for 3-hexan-3-yl-2-methylpyridine is CCCC(CC)c1cccnc1C.
What is the InChIKey of 3-hexan-3-yl-2-methylpyridine?
The InChIKey is FLWFPHCEYALTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-4-7-11(5-2)12-8-6-9-13-10(12)3/h6,8-9,11H,4-5,7H2,1-3H3.
What are the key properties of 3-hexan-3-yl-2-methylpyridine?
3-hexan-3-yl-2-methylpyridine has a molecular weight of 177.29 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexan-3-yl-2-methylpyridine is sourced from PubChem (CID 143825062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).