4-tert-butyl-1-methyl-3,4-dihydro-2H-pyridine

C10H19N — CID 102008579

IUPAC4-tert-butyl-1-methyl-3,4-dihydro-2H-pyridine
SMILESCN1C=CC(C(C)(C)C)CC1
InChIInChI=1S/C10H19N/c1-10(2,3)9-5-7-11(4)8-6-9/h5,7,9H,6,8H2,1-4H3
InChIKeyOPAGUCNPFGDULO-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.50
Rot. Bonds

About 4-tert-butyl-1-methyl-3,4-dihydro-2H-pyridine

4-tert-butyl-1-methyl-3,4-dihydro-2H-pyridine (PubChem CID 102008579) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 4-tert-butyl-1-methyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-tert-butyl-1-methyl-3,4-dihydro-2H-pyridine
PubChem CID102008579
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name4-tert-butyl-1-methyl-3,4-dihydro-2H-pyridine
SMILESCN1C=CC(C(C)(C)C)CC1
InChIInChI=1S/C10H19N/c1-10(2,3)9-5-7-11(4)8-6-9/h5,7,9H,6,8H2,1-4H3
InChIKeyOPAGUCNPFGDULO-UHFFFAOYSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3,3-di(propan-2-yl)-2,4-dihydro-1H-pyridine
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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-methyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 4-tert-butyl-1-methyl-3,4-dihydro-2H-pyridine (CID 102008579) is 4-tert-butyl-1-methyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 4-tert-butyl-1-methyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 4-tert-butyl-1-methyl-3,4-dihydro-2H-pyridine is CN1C=CC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-methyl-3,4-dihydro-2H-pyridine?
The InChIKey is OPAGUCNPFGDULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-10(2,3)9-5-7-11(4)8-6-9/h5,7,9H,6,8H2,1-4H3.
What are the key properties of 4-tert-butyl-1-methyl-3,4-dihydro-2H-pyridine?
4-tert-butyl-1-methyl-3,4-dihydro-2H-pyridine has a molecular weight of 153.27 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-methyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 102008579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).