6-tert-butyl-2,3-dihydropyridine

C9H15N — CID 58674837

IUPAC6-tert-butyl-2,3-dihydropyridine
SMILESCC(C)(C)C1=NCCC=C1
InChIInChI=1S/C9H15N/c1-9(2,3)8-6-4-5-7-10-8/h4,6H,5,7H2,1-3H3
InChIKeyNFXAPPYMIFGBEO-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.43
Rot. Bonds

About 6-tert-butyl-2,3-dihydropyridine

6-tert-butyl-2,3-dihydropyridine (PubChem CID 58674837) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 6-tert-butyl-2,3-dihydropyridine.

Molecular Properties

Compound Name6-tert-butyl-2,3-dihydropyridine
PubChem CID58674837
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name6-tert-butyl-2,3-dihydropyridine
SMILESCC(C)(C)C1=NCCC=C1
InChIInChI=1S/C9H15N/c1-9(2,3)8-6-4-5-7-10-8/h4,6H,5,7H2,1-3H3
InChIKeyNFXAPPYMIFGBEO-UHFFFAOYSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-Ethyl-2,3-dihydropyridine
CID 58693567
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CID 141733304
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CID 143810300
Isopropylidene(1-methylbenzyl)amine
CID 129797035
3-Fluoro-6-propan-2-yl-2,3-dihydropyridine
CID 144060413
N-propylcyclohexa-2,5-dien-1-imine
CID 21188343
2,5-ditert-butyl-2H-pyrrole
CID 22374998
CID 54321499
CID 54321499
5-tert-butyl-2H-pyrrole
CID 57674557
5-tert-butyl-2H-indole
CID 57987275
5-tert-butyl-3-methyl-2H-pyrrole
CID 58093880
3,6-Ditert-butyl-2,3-dihydropyridine
CID 58579568

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,3-dihydropyridine?
The IUPAC name of 6-tert-butyl-2,3-dihydropyridine (CID 58674837) is 6-tert-butyl-2,3-dihydropyridine.
What is the SMILES notation for 6-tert-butyl-2,3-dihydropyridine?
The canonical SMILES for 6-tert-butyl-2,3-dihydropyridine is CC(C)(C)C1=NCCC=C1.
What is the InChIKey of 6-tert-butyl-2,3-dihydropyridine?
The InChIKey is NFXAPPYMIFGBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-9(2,3)8-6-4-5-7-10-8/h4,6H,5,7H2,1-3H3.
What are the key properties of 6-tert-butyl-2,3-dihydropyridine?
6-tert-butyl-2,3-dihydropyridine has a molecular weight of 137.23 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,3-dihydropyridine is sourced from PubChem (CID 58674837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).