6-(4-tert-butylcyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine

C16H27N — CID 164751143

IUPAC6-(4-tert-butylcyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine
SMILESCC1CCC(C2=CCC(C(C)(C)C)CC2)=NC1
InChIInChI=1S/C16H27N/c1-12-5-10-15(17-11-12)13-6-8-14(9-7-13)16(2,3)4/h6,12,14H,5,7-11H2,1-4H3
InChIKeyYUQOXODRHKDNGV-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.63
Rot. Bonds1

About 6-(4-tert-butylcyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine

6-(4-tert-butylcyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine (PubChem CID 164751143) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 6-(4-tert-butylcyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-(4-tert-butylcyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine
PubChem CID164751143
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name6-(4-tert-butylcyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine
SMILESCC1CCC(C2=CCC(C(C)(C)C)CC2)=NC1
InChIInChI=1S/C16H27N/c1-12-5-10-15(17-11-12)13-6-8-14(9-7-13)16(2,3)4/h6,12,14H,5,7-11H2,1-4H3
InChIKeyYUQOXODRHKDNGV-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylcyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-(4-tert-butylcyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine (CID 164751143) is 6-(4-tert-butylcyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-(4-tert-butylcyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-(4-tert-butylcyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine is CC1CCC(C2=CCC(C(C)(C)C)CC2)=NC1.
What is the InChIKey of 6-(4-tert-butylcyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine?
The InChIKey is YUQOXODRHKDNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-12-5-10-15(17-11-12)13-6-8-14(9-7-13)16(2,3)4/h6,12,14H,5,7-11H2,1-4H3.
What are the key properties of 6-(4-tert-butylcyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine?
6-(4-tert-butylcyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine has a molecular weight of 233.40 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylcyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 164751143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).