6-[(4R)-2,4-dimethylhexan-2-yl]-2,3-dihydropyridine

C13H23N — CID 145217686

IUPAC6-[(4R)-2,4-dimethylhexan-2-yl]-2,3-dihydropyridine
SMILESCC[C@@H](C)CC(C)(C)C1=NCCC=C1
InChIInChI=1S/C13H23N/c1-5-11(2)10-13(3,4)12-8-6-7-9-14-12/h6,8,11H,5,7,9-10H2,1-4H3/t11-/m1/s1
InChIKeyGEQBETJYLYLPQH-LLVKDONJSA-N
MW193.33 g/mol
LogP3.85
Rot. Bonds4

About 6-[(4R)-2,4-dimethylhexan-2-yl]-2,3-dihydropyridine

6-[(4R)-2,4-dimethylhexan-2-yl]-2,3-dihydropyridine (PubChem CID 145217686) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 6-[(4R)-2,4-dimethylhexan-2-yl]-2,3-dihydropyridine.

Molecular Properties

Compound Name6-[(4R)-2,4-dimethylhexan-2-yl]-2,3-dihydropyridine
PubChem CID145217686
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name6-[(4R)-2,4-dimethylhexan-2-yl]-2,3-dihydropyridine
SMILESCC[C@@H](C)CC(C)(C)C1=NCCC=C1
InChIInChI=1S/C13H23N/c1-5-11(2)10-13(3,4)12-8-6-7-9-14-12/h6,8,11H,5,7,9-10H2,1-4H3/t11-/m1/s1
InChIKeyGEQBETJYLYLPQH-LLVKDONJSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(5S)-N-ethyl-7-fluoro-5,6-dimethylcyclohept-2-en-1-imine
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Ethyl-(3,5,5-trimethyl-cyclohex-2-enylidene)-amine
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3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
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N,2,5,5-tetramethylcyclohex-2-en-1-imine
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1-Methyl-2-azaspiro[5.5]undeca-1,9-diene
CID 154719804
(1Z)-3,5,5-Trimethyl-N-(prop-2-en-1-yl)cyclohex-2-en-1-imine
CID 238062
6,6-dimethyl-3,4,4a,5-tetrahydro-2H-quinoline
CID 13272643
6-tert-butyl-5-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
CID 20752812
(5E,9E)-2-[2-(1-propylcyclohexyl)ethyl]-1-azacyclododeca-1,5,9-triene
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6-Cyclopentyl-2,3-dihydropyridine
CID 54515633

Frequently Asked Questions

What is the IUPAC name of 6-[(4R)-2,4-dimethylhexan-2-yl]-2,3-dihydropyridine?
The IUPAC name of 6-[(4R)-2,4-dimethylhexan-2-yl]-2,3-dihydropyridine (CID 145217686) is 6-[(4R)-2,4-dimethylhexan-2-yl]-2,3-dihydropyridine.
What is the SMILES notation for 6-[(4R)-2,4-dimethylhexan-2-yl]-2,3-dihydropyridine?
The canonical SMILES for 6-[(4R)-2,4-dimethylhexan-2-yl]-2,3-dihydropyridine is CC[C@@H](C)CC(C)(C)C1=NCCC=C1.
What is the InChIKey of 6-[(4R)-2,4-dimethylhexan-2-yl]-2,3-dihydropyridine?
The InChIKey is GEQBETJYLYLPQH-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23N/c1-5-11(2)10-13(3,4)12-8-6-7-9-14-12/h6,8,11H,5,7,9-10H2,1-4H3/t11-/m1/s1.
What are the key properties of 6-[(4R)-2,4-dimethylhexan-2-yl]-2,3-dihydropyridine?
6-[(4R)-2,4-dimethylhexan-2-yl]-2,3-dihydropyridine has a molecular weight of 193.33 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4R)-2,4-dimethylhexan-2-yl]-2,3-dihydropyridine is sourced from PubChem (CID 145217686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).