3,4-ditert-butyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine

C16H27N — CID 146228550

IUPAC3,4-ditert-butyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine
SMILESC/C=C\C1=CN=CC(C(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C16H27N/c1-8-9-12-10-17-11-13(15(2,3)4)14(12)16(5,6)7/h8-11,13-14H,1-7H3/b9-8-
InChIKeyLQHCVZLXFIUVAX-HJWRWDBZSA-N
MW233.40 g/mol
LogP4.86
Rot. Bonds1

About 3,4-ditert-butyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine

3,4-ditert-butyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine (PubChem CID 146228550) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3,4-ditert-butyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine.

Molecular Properties

Compound Name3,4-ditert-butyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine
PubChem CID146228550
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3,4-ditert-butyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine
SMILESC/C=C\C1=CN=CC(C(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C16H27N/c1-8-9-12-10-17-11-13(15(2,3)4)14(12)16(5,6)7/h8-11,13-14H,1-7H3/b9-8-
InChIKeyLQHCVZLXFIUVAX-HJWRWDBZSA-N
XLogP4.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine?
The IUPAC name of 3,4-ditert-butyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine (CID 146228550) is 3,4-ditert-butyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine.
What is the SMILES notation for 3,4-ditert-butyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine?
The canonical SMILES for 3,4-ditert-butyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine is C/C=C\C1=CN=CC(C(C)(C)C)C1C(C)(C)C.
What is the InChIKey of 3,4-ditert-butyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine?
The InChIKey is LQHCVZLXFIUVAX-HJWRWDBZSA-N. The full InChI is InChI=1S/C16H27N/c1-8-9-12-10-17-11-13(15(2,3)4)14(12)16(5,6)7/h8-11,13-14H,1-7H3/b9-8-.
What are the key properties of 3,4-ditert-butyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine?
3,4-ditert-butyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine has a molecular weight of 233.40 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine is sourced from PubChem (CID 146228550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).