2-tert-butyl-3-ethyl-2-propyl-3H-pyridine

C14H25N — CID 91141786

IUPAC2-tert-butyl-3-ethyl-2-propyl-3H-pyridine
SMILESCCCC1(C(C)(C)C)N=CC=CC1CC
InChIInChI=1S/C14H25N/c1-6-10-14(13(3,4)5)12(7-2)9-8-11-15-14/h8-9,11-12H,6-7,10H2,1-5H3
InChIKeyKNERSKXHFPVBOF-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.24
Rot. Bonds3

About 2-tert-butyl-3-ethyl-2-propyl-3H-pyridine

2-tert-butyl-3-ethyl-2-propyl-3H-pyridine (PubChem CID 91141786) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 2-tert-butyl-3-ethyl-2-propyl-3H-pyridine.

Molecular Properties

Compound Name2-tert-butyl-3-ethyl-2-propyl-3H-pyridine
PubChem CID91141786
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name2-tert-butyl-3-ethyl-2-propyl-3H-pyridine
SMILESCCCC1(C(C)(C)C)N=CC=CC1CC
InChIInChI=1S/C14H25N/c1-6-10-14(13(3,4)5)12(7-2)9-8-11-15-14/h8-9,11-12H,6-7,10H2,1-5H3
InChIKeyKNERSKXHFPVBOF-UHFFFAOYSA-N
XLogP4.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 53814937
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2-Non-6-en-4-yl-2-propylpyrrole
CID 56981173
2-Propyl-2-(2,2,8,8-tetramethylnonan-5-yl)pyrrole
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2-Propyl-2-(2,2,8-trimethylnonan-5-yl)pyrrole
CID 57147046
2-Hexan-3-yl-2-pentylpyrrole
CID 57206465
2,3-Di(propan-2-yl)-2,3-dihydropyridine
CID 59427901
2,3-ditert-butyl-3-methyl-2H-pyridine
CID 67707010
2,4-diethyl-3-methyl-3,4-dihydro-2H-azepine
CID 68391441
3-[(6S)-6-methylcyclohex-2-en-1-yl]-2,3-dihydropyridine
CID 89017608
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CID 90689047

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-ethyl-2-propyl-3H-pyridine?
The IUPAC name of 2-tert-butyl-3-ethyl-2-propyl-3H-pyridine (CID 91141786) is 2-tert-butyl-3-ethyl-2-propyl-3H-pyridine.
What is the SMILES notation for 2-tert-butyl-3-ethyl-2-propyl-3H-pyridine?
The canonical SMILES for 2-tert-butyl-3-ethyl-2-propyl-3H-pyridine is CCCC1(C(C)(C)C)N=CC=CC1CC.
What is the InChIKey of 2-tert-butyl-3-ethyl-2-propyl-3H-pyridine?
The InChIKey is KNERSKXHFPVBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-6-10-14(13(3,4)5)12(7-2)9-8-11-15-14/h8-9,11-12H,6-7,10H2,1-5H3.
What are the key properties of 2-tert-butyl-3-ethyl-2-propyl-3H-pyridine?
2-tert-butyl-3-ethyl-2-propyl-3H-pyridine has a molecular weight of 207.36 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-ethyl-2-propyl-3H-pyridine is sourced from PubChem (CID 91141786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).