1-tert-butyl-5-ethenyl-4-[(E)-2,3,3-trimethylbut-1-enyl]-3,6-dihydro-2H-pyridine

C18H31N — CID 138661070

IUPAC1-tert-butyl-5-ethenyl-4-[(E)-2,3,3-trimethylbut-1-enyl]-3,6-dihydro-2H-pyridine
SMILESC=CC1=C(/C=C(\C)C(C)(C)C)CCN(C(C)(C)C)C1
InChIInChI=1S/C18H31N/c1-9-15-13-19(18(6,7)8)11-10-16(15)12-14(2)17(3,4)5/h9,12H,1,10-11,13H2,2-8H3/b14-12+
InChIKeyWMZYLSVFIBOKSA-WYMLVPIESA-N
MW261.45 g/mol
LogP4.97
Rot. Bonds2

About 1-tert-butyl-5-ethenyl-4-[(E)-2,3,3-trimethylbut-1-enyl]-3,6-dihydro-2H-pyridine

1-tert-butyl-5-ethenyl-4-[(E)-2,3,3-trimethylbut-1-enyl]-3,6-dihydro-2H-pyridine (PubChem CID 138661070) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 1-tert-butyl-5-ethenyl-4-[(E)-2,3,3-trimethylbut-1-enyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-tert-butyl-5-ethenyl-4-[(E)-2,3,3-trimethylbut-1-enyl]-3,6-dihydro-2H-pyridine
PubChem CID138661070
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name1-tert-butyl-5-ethenyl-4-[(E)-2,3,3-trimethylbut-1-enyl]-3,6-dihydro-2H-pyridine
SMILESC=CC1=C(/C=C(\C)C(C)(C)C)CCN(C(C)(C)C)C1
InChIInChI=1S/C18H31N/c1-9-15-13-19(18(6,7)8)11-10-16(15)12-14(2)17(3,4)5/h9,12H,1,10-11,13H2,2-8H3/b14-12+
InChIKeyWMZYLSVFIBOKSA-WYMLVPIESA-N
XLogP4.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-tert-butyl-5-ethenyl-4-[(E)-2,3,3-trimethylbut-1-enyl]-3,6-dihydro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-ethenyl-4-[(E)-2,3,3-trimethylbut-1-enyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-tert-butyl-5-ethenyl-4-[(E)-2,3,3-trimethylbut-1-enyl]-3,6-dihydro-2H-pyridine (CID 138661070) is 1-tert-butyl-5-ethenyl-4-[(E)-2,3,3-trimethylbut-1-enyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-tert-butyl-5-ethenyl-4-[(E)-2,3,3-trimethylbut-1-enyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-tert-butyl-5-ethenyl-4-[(E)-2,3,3-trimethylbut-1-enyl]-3,6-dihydro-2H-pyridine is C=CC1=C(/C=C(\C)C(C)(C)C)CCN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-5-ethenyl-4-[(E)-2,3,3-trimethylbut-1-enyl]-3,6-dihydro-2H-pyridine?
The InChIKey is WMZYLSVFIBOKSA-WYMLVPIESA-N. The full InChI is InChI=1S/C18H31N/c1-9-15-13-19(18(6,7)8)11-10-16(15)12-14(2)17(3,4)5/h9,12H,1,10-11,13H2,2-8H3/b14-12+.
What are the key properties of 1-tert-butyl-5-ethenyl-4-[(E)-2,3,3-trimethylbut-1-enyl]-3,6-dihydro-2H-pyridine?
1-tert-butyl-5-ethenyl-4-[(E)-2,3,3-trimethylbut-1-enyl]-3,6-dihydro-2H-pyridine has a molecular weight of 261.45 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-ethenyl-4-[(E)-2,3,3-trimethylbut-1-enyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 138661070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).