1-tert-butyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyridine

C13H25N — CID 134314321

IUPAC1-tert-butyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyridine
SMILESCC(C)CC1C=CN(C(C)(C)C)CC1
InChIInChI=1S/C13H25N/c1-11(2)10-12-6-8-14(9-7-12)13(3,4)5/h6,8,11-12H,7,9-10H2,1-5H3
InChIKeyUASOXQATAAFHOW-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.67
Rot. Bonds2

About 1-tert-butyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyridine

1-tert-butyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyridine (PubChem CID 134314321) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-tert-butyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyridine
PubChem CID134314321
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-tert-butyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyridine
SMILESCC(C)CC1C=CN(C(C)(C)C)CC1
InChIInChI=1S/C13H25N/c1-11(2)10-12-6-8-14(9-7-12)13(3,4)5/h6,8,11-12H,7,9-10H2,1-5H3
InChIKeyUASOXQATAAFHOW-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.67
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-(2-methylpropyl)-3,4-dihydro-2H-pyridine?
The IUPAC name of 1-tert-butyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyridine (CID 134314321) is 1-tert-butyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 1-tert-butyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyridine?
The canonical SMILES for 1-tert-butyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyridine is CC(C)CC1C=CN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyridine?
The InChIKey is UASOXQATAAFHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-11(2)10-12-6-8-14(9-7-12)13(3,4)5/h6,8,11-12H,7,9-10H2,1-5H3.
What are the key properties of 1-tert-butyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyridine?
1-tert-butyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyridine has a molecular weight of 195.35 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 134314321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).