5,6-ditert-butyl-1,2-dimethyl-3,4-dihydro-2H-pyridine

C15H29N — CID 23592079

IUPAC5,6-ditert-butyl-1,2-dimethyl-3,4-dihydro-2H-pyridine
SMILESCC1CCC(C(C)(C)C)=C(C(C)(C)C)N1C
InChIInChI=1S/C15H29N/c1-11-9-10-12(14(2,3)4)13(16(11)8)15(5,6)7/h11H,9-10H2,1-8H3
InChIKeyVBQTZKZWTLXCFS-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.45
Rot. Bonds

About 5,6-ditert-butyl-1,2-dimethyl-3,4-dihydro-2H-pyridine

5,6-ditert-butyl-1,2-dimethyl-3,4-dihydro-2H-pyridine (PubChem CID 23592079) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 5,6-ditert-butyl-1,2-dimethyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name5,6-ditert-butyl-1,2-dimethyl-3,4-dihydro-2H-pyridine
PubChem CID23592079
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name5,6-ditert-butyl-1,2-dimethyl-3,4-dihydro-2H-pyridine
SMILESCC1CCC(C(C)(C)C)=C(C(C)(C)C)N1C
InChIInChI=1S/C15H29N/c1-11-9-10-12(14(2,3)4)13(16(11)8)15(5,6)7/h11H,9-10H2,1-8H3
InChIKeyVBQTZKZWTLXCFS-UHFFFAOYSA-N
XLogP4.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5,6-ditert-butyl-1,2-dimethyl-3,4-dihydro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,5,6-Tetramethyl-pentamethylpyridine
CID 18730033
1,2,5,6-tetratert-butyl-4-fluoro-3,4-dihydro-2H-pyridine
CID 172171245
1,2,5,6-Tetratert-butyl-4,4-difluoro-2,3-dihydropyridine
CID 172171246
1-(2,6-Dimethylcyclohexen-1-yl)pyrrolidine
CID 100947708
1-(2,6,6-Trimethylcyclohexen-1-yl)pyrrolidine
CID 134863459
(4Z)-1,2-ditert-butyl-4-(1-fluoroethylidene)piperidine
CID 158856151
1-(2,6-Dimethylcyclohexen-1-yl)azetidine
CID 15686732
N-ethyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]ethanamine
CID 19873483
3-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine
CID 20872167
2-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine
CID 20872190
[1-Methyl-3-(2,6,6-trimethyl-1-cyclohexenyl)propyl]dimethylamine
CID 21502520
5,6-ditert-butyl-1,3-dimethyl-3,4-dihydro-2H-pyridine
CID 23402532

Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-1,2-dimethyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 5,6-ditert-butyl-1,2-dimethyl-3,4-dihydro-2H-pyridine (CID 23592079) is 5,6-ditert-butyl-1,2-dimethyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 5,6-ditert-butyl-1,2-dimethyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 5,6-ditert-butyl-1,2-dimethyl-3,4-dihydro-2H-pyridine is CC1CCC(C(C)(C)C)=C(C(C)(C)C)N1C.
What is the InChIKey of 5,6-ditert-butyl-1,2-dimethyl-3,4-dihydro-2H-pyridine?
The InChIKey is VBQTZKZWTLXCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-11-9-10-12(14(2,3)4)13(16(11)8)15(5,6)7/h11H,9-10H2,1-8H3.
What are the key properties of 5,6-ditert-butyl-1,2-dimethyl-3,4-dihydro-2H-pyridine?
5,6-ditert-butyl-1,2-dimethyl-3,4-dihydro-2H-pyridine has a molecular weight of 223.40 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-1,2-dimethyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 23592079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).