1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-3,6-dihydro-2H-pyridine

C16H31N — CID 58465354

IUPAC1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCC(C)(C)N1CC=C(C(C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H31N/c1-14(2,3)16(7,8)13-9-11-17(12-10-13)15(4,5)6/h9H,10-12H2,1-8H3
InChIKeyILFZSQGPCMOOCP-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.49
Rot. Bonds1

About 1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-3,6-dihydro-2H-pyridine

1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-3,6-dihydro-2H-pyridine (PubChem CID 58465354) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-3,6-dihydro-2H-pyridine
PubChem CID58465354
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCC(C)(C)N1CC=C(C(C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H31N/c1-14(2,3)16(7,8)13-9-11-17(12-10-13)15(4,5)6/h9H,10-12H2,1-8H3
InChIKeyILFZSQGPCMOOCP-UHFFFAOYSA-N
XLogP4.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-3,6-dihydro-2H-pyridine (CID 58465354) is 1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-3,6-dihydro-2H-pyridine is CC(C)(C)N1CC=C(C(C)(C)C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is ILFZSQGPCMOOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-14(2,3)16(7,8)13-9-11-17(12-10-13)15(4,5)6/h9H,10-12H2,1-8H3.
What are the key properties of 1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-3,6-dihydro-2H-pyridine?
1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 237.43 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 58465354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).