3-methyl-6-[1-(4-methyl-2-bicyclo[1.1.1]pentanyl)ethyl]-2,3-dihydropyridine

C14H21N — CID 129016496

IUPAC3-methyl-6-[1-(4-methyl-2-bicyclo[1.1.1]pentanyl)ethyl]-2,3-dihydropyridine
SMILESCC1C=CC(C(C)C2C3CC2C3C)=NC1
InChIInChI=1S/C14H21N/c1-8-4-5-13(15-7-8)10(3)14-11-6-12(14)9(11)2/h4-5,8-12,14H,6-7H2,1-3H3
InChIKeyDWQUVTCYENCRHD-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.17
Rot. Bonds2

About 3-methyl-6-[1-(4-methyl-2-bicyclo[1.1.1]pentanyl)ethyl]-2,3-dihydropyridine

3-methyl-6-[1-(4-methyl-2-bicyclo[1.1.1]pentanyl)ethyl]-2,3-dihydropyridine (PubChem CID 129016496) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-methyl-6-[1-(4-methyl-2-bicyclo[1.1.1]pentanyl)ethyl]-2,3-dihydropyridine.

Molecular Properties

Compound Name3-methyl-6-[1-(4-methyl-2-bicyclo[1.1.1]pentanyl)ethyl]-2,3-dihydropyridine
PubChem CID129016496
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-methyl-6-[1-(4-methyl-2-bicyclo[1.1.1]pentanyl)ethyl]-2,3-dihydropyridine
SMILESCC1C=CC(C(C)C2C3CC2C3C)=NC1
InChIInChI=1S/C14H21N/c1-8-4-5-13(15-7-8)10(3)14-11-6-12(14)9(11)2/h4-5,8-12,14H,6-7H2,1-3H3
InChIKeyDWQUVTCYENCRHD-UHFFFAOYSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[1-(4-methyl-2-bicyclo[1.1.1]pentanyl)ethyl]-2,3-dihydropyridine?
The IUPAC name of 3-methyl-6-[1-(4-methyl-2-bicyclo[1.1.1]pentanyl)ethyl]-2,3-dihydropyridine (CID 129016496) is 3-methyl-6-[1-(4-methyl-2-bicyclo[1.1.1]pentanyl)ethyl]-2,3-dihydropyridine.
What is the SMILES notation for 3-methyl-6-[1-(4-methyl-2-bicyclo[1.1.1]pentanyl)ethyl]-2,3-dihydropyridine?
The canonical SMILES for 3-methyl-6-[1-(4-methyl-2-bicyclo[1.1.1]pentanyl)ethyl]-2,3-dihydropyridine is CC1C=CC(C(C)C2C3CC2C3C)=NC1.
What is the InChIKey of 3-methyl-6-[1-(4-methyl-2-bicyclo[1.1.1]pentanyl)ethyl]-2,3-dihydropyridine?
The InChIKey is DWQUVTCYENCRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-8-4-5-13(15-7-8)10(3)14-11-6-12(14)9(11)2/h4-5,8-12,14H,6-7H2,1-3H3.
What are the key properties of 3-methyl-6-[1-(4-methyl-2-bicyclo[1.1.1]pentanyl)ethyl]-2,3-dihydropyridine?
3-methyl-6-[1-(4-methyl-2-bicyclo[1.1.1]pentanyl)ethyl]-2,3-dihydropyridine has a molecular weight of 203.33 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[1-(4-methyl-2-bicyclo[1.1.1]pentanyl)ethyl]-2,3-dihydropyridine is sourced from PubChem (CID 129016496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).