4-tert-butyl-1,5-dimethyl-3,4-dihydro-2H-pyridine

C11H21N — CID 135141973

IUPAC4-tert-butyl-1,5-dimethyl-3,4-dihydro-2H-pyridine
SMILESCC1=CN(C)CCC1C(C)(C)C
InChIInChI=1S/C11H21N/c1-9-8-12(5)7-6-10(9)11(2,3)4/h8,10H,6-7H2,1-5H3
InChIKeyTXYIPOQWKFLSKA-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.89
Rot. Bonds

About 4-tert-butyl-1,5-dimethyl-3,4-dihydro-2H-pyridine

4-tert-butyl-1,5-dimethyl-3,4-dihydro-2H-pyridine (PubChem CID 135141973) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 4-tert-butyl-1,5-dimethyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-tert-butyl-1,5-dimethyl-3,4-dihydro-2H-pyridine
PubChem CID135141973
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name4-tert-butyl-1,5-dimethyl-3,4-dihydro-2H-pyridine
SMILESCC1=CN(C)CCC1C(C)(C)C
InChIInChI=1S/C11H21N/c1-9-8-12(5)7-6-10(9)11(2,3)4/h8,10H,6-7H2,1-5H3
InChIKeyTXYIPOQWKFLSKA-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-1-methyl-4-propan-2-yl-3,4-dihydro-2H-pyridine
CID 155066771
1,3,5-trimethyl-3,4-dihydro-2H-pyridine
CID 13700378
1,2,2,3,3,4,4,5-Octamethylpyridine
CID 18730034
1-methyl-5-propan-2-yl-3,4-dihydro-2H-pyridine
CID 20668453
1,5-dimethyl-4-propan-2-yl-3,4-dihydro-2H-pyridine
CID 21721316
1-Methyl-4,4-di(propan-2-yl)-2,3-dihydropyridine
CID 58233773
1,4,5-tri(propan-2-yl)-3,4-dihydro-2H-pyridine
CID 58977274
3,4-ditert-butyl-1-propyl-3,4-dihydro-2H-pyridine
CID 59036727
3-Tert-butyl-1-azabicyclo[2.2.2]oct-2-ene
CID 59519988
(2R,3S)-1,2,3,5-tetramethyl-3,4-dihydro-2H-pyridine
CID 59885958
1,4-ditert-butyl-3,4-dihydro-2H-pyridine
CID 59918156
1,4,5-trimethyl-3,4-dihydro-2H-pyridine
CID 68340069

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,5-dimethyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 4-tert-butyl-1,5-dimethyl-3,4-dihydro-2H-pyridine (CID 135141973) is 4-tert-butyl-1,5-dimethyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 4-tert-butyl-1,5-dimethyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 4-tert-butyl-1,5-dimethyl-3,4-dihydro-2H-pyridine is CC1=CN(C)CCC1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-1,5-dimethyl-3,4-dihydro-2H-pyridine?
The InChIKey is TXYIPOQWKFLSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-9-8-12(5)7-6-10(9)11(2,3)4/h8,10H,6-7H2,1-5H3.
What are the key properties of 4-tert-butyl-1,5-dimethyl-3,4-dihydro-2H-pyridine?
4-tert-butyl-1,5-dimethyl-3,4-dihydro-2H-pyridine has a molecular weight of 167.30 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,5-dimethyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 135141973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).