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

C14H23N — CID 164753495

IUPAC6-(5,5-dimethylcyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine
SMILESCC1CCC(C2=CCCC(C)(C)C2)=NC1
InChIInChI=1S/C14H23N/c1-11-6-7-13(15-10-11)12-5-4-8-14(2,3)9-12/h5,11H,4,6-10H2,1-3H3
InChIKeyKPDDIRWCRUBCTK-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.99
Rot. Bonds1

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

6-(5,5-dimethylcyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine (PubChem CID 164753495) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 6-(5,5-dimethylcyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-(5,5-dimethylcyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine
PubChem CID164753495
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name6-(5,5-dimethylcyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine
SMILESCC1CCC(C2=CCCC(C)(C)C2)=NC1
InChIInChI=1S/C14H23N/c1-11-6-7-13(15-10-11)12-5-4-8-14(2,3)9-12/h5,11H,4,6-10H2,1-3H3
InChIKeyKPDDIRWCRUBCTK-UHFFFAOYSA-N
XLogP3.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(5,5-dimethylcyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-(5,5-dimethylcyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine (CID 164753495) is 6-(5,5-dimethylcyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-(5,5-dimethylcyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-(5,5-dimethylcyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine is CC1CCC(C2=CCCC(C)(C)C2)=NC1.
What is the InChIKey of 6-(5,5-dimethylcyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine?
The InChIKey is KPDDIRWCRUBCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-11-6-7-13(15-10-11)12-5-4-8-14(2,3)9-12/h5,11H,4,6-10H2,1-3H3.
What are the key properties of 6-(5,5-dimethylcyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine?
6-(5,5-dimethylcyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine has a molecular weight of 205.34 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,5-dimethylcyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 164753495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).