1-tert-butyl-4,4-dimethyl-2,3-dihydropyridine

C11H21N — CID 14955102

IUPAC1-tert-butyl-4,4-dimethyl-2,3-dihydropyridine
SMILESCC1(C)C=CN(C(C)(C)C)CC1
InChIInChI=1S/C11H21N/c1-10(2,3)12-8-6-11(4,5)7-9-12/h6,8H,7,9H2,1-5H3
InChIKeyXWJVBTVQTHKVBW-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.03
Rot. Bonds

About 1-tert-butyl-4,4-dimethyl-2,3-dihydropyridine

1-tert-butyl-4,4-dimethyl-2,3-dihydropyridine (PubChem CID 14955102) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-tert-butyl-4,4-dimethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name1-tert-butyl-4,4-dimethyl-2,3-dihydropyridine
PubChem CID14955102
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-tert-butyl-4,4-dimethyl-2,3-dihydropyridine
SMILESCC1(C)C=CN(C(C)(C)C)CC1
InChIInChI=1S/C11H21N/c1-10(2,3)12-8-6-11(4,5)7-9-12/h6,8H,7,9H2,1-5H3
InChIKeyXWJVBTVQTHKVBW-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4,4-dimethyl-2,3-dihydropyridine?
The IUPAC name of 1-tert-butyl-4,4-dimethyl-2,3-dihydropyridine (CID 14955102) is 1-tert-butyl-4,4-dimethyl-2,3-dihydropyridine.
What is the SMILES notation for 1-tert-butyl-4,4-dimethyl-2,3-dihydropyridine?
The canonical SMILES for 1-tert-butyl-4,4-dimethyl-2,3-dihydropyridine is CC1(C)C=CN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4,4-dimethyl-2,3-dihydropyridine?
The InChIKey is XWJVBTVQTHKVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-10(2,3)12-8-6-11(4,5)7-9-12/h6,8H,7,9H2,1-5H3.
What are the key properties of 1-tert-butyl-4,4-dimethyl-2,3-dihydropyridine?
1-tert-butyl-4,4-dimethyl-2,3-dihydropyridine has a molecular weight of 167.30 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4,4-dimethyl-2,3-dihydropyridine is sourced from PubChem (CID 14955102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).