2,3-ditert-butyl-6-methyl-1,4-dihydropyridine

C14H25N — CID 20872205

IUPAC2,3-ditert-butyl-6-methyl-1,4-dihydropyridine
SMILESCC1=CCC(C(C)(C)C)=C(C(C)(C)C)N1
InChIInChI=1S/C14H25N/c1-10-8-9-11(13(2,3)4)12(15-10)14(5,6)7/h8,15H,9H2,1-7H3
InChIKeyDTTAJBDFUFZZTG-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.23
Rot. Bonds

About 2,3-ditert-butyl-6-methyl-1,4-dihydropyridine

2,3-ditert-butyl-6-methyl-1,4-dihydropyridine (PubChem CID 20872205) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 2,3-ditert-butyl-6-methyl-1,4-dihydropyridine.

Molecular Properties

Compound Name2,3-ditert-butyl-6-methyl-1,4-dihydropyridine
PubChem CID20872205
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name2,3-ditert-butyl-6-methyl-1,4-dihydropyridine
SMILESCC1=CCC(C(C)(C)C)=C(C(C)(C)C)N1
InChIInChI=1S/C14H25N/c1-10-8-9-11(13(2,3)4)12(15-10)14(5,6)7/h8,15H,9H2,1-7H3
InChIKeyDTTAJBDFUFZZTG-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,3-ditert-butyl-6-methyl-1,4-dihydropyridine 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-ditert-butyl-1,6-dimethyl-4H-pyridine
CID 20871967
5,6-ditert-butyl-2-methylidene-3,4-dihydro-1H-pyridine
CID 58459653
4,5-Ditert-butyl-2-methylidene-1,3-dihydropyrrole
CID 59151156
2,2,6-Trimethyl-4-methylidene-1,3-dihydropyridine
CID 66769359
3,3,6-Trimethyl-2-methylidene-1,4-dihydropyridine
CID 89013551
2,2,4,6-tetramethyl-3,4-dihydro-1H-pyridine
CID 89245767
N,4-ditert-butylcyclopenta-1,3-dien-1-amine
CID 90181151
4-Tert-butyl-2-methylidene-5-propan-2-yl-1,3-dihydropyrrole
CID 90379619
(E)-but-2-en-2-amine;1,5,5-trimethylcyclohexene
CID 91156885
2-methylidene-5,6-di(propan-2-yl)-3,4-dihydro-1H-pyridine
CID 122425478
N-[(E)-2,2,4,5,5-pentamethylhex-3-en-3-yl]cyclobuten-1-amine
CID 126648096
4-tert-butyl-6-methyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine
CID 126657608

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-6-methyl-1,4-dihydropyridine?
The IUPAC name of 2,3-ditert-butyl-6-methyl-1,4-dihydropyridine (CID 20872205) is 2,3-ditert-butyl-6-methyl-1,4-dihydropyridine.
What is the SMILES notation for 2,3-ditert-butyl-6-methyl-1,4-dihydropyridine?
The canonical SMILES for 2,3-ditert-butyl-6-methyl-1,4-dihydropyridine is CC1=CCC(C(C)(C)C)=C(C(C)(C)C)N1.
What is the InChIKey of 2,3-ditert-butyl-6-methyl-1,4-dihydropyridine?
The InChIKey is DTTAJBDFUFZZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-10-8-9-11(13(2,3)4)12(15-10)14(5,6)7/h8,15H,9H2,1-7H3.
What are the key properties of 2,3-ditert-butyl-6-methyl-1,4-dihydropyridine?
2,3-ditert-butyl-6-methyl-1,4-dihydropyridine has a molecular weight of 207.36 g/mol, XLogP of 4.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-6-methyl-1,4-dihydropyridine is sourced from PubChem (CID 20872205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).