6-[2-[(2,3-dimethylcyclobutyl)methyl]but-2-enyl]-1,2-dimethyl-2H-pyridine

C18H29N — CID 123251562

IUPAC6-[2-[(2,3-dimethylcyclobutyl)methyl]but-2-enyl]-1,2-dimethyl-2H-pyridine
SMILESCC=C(CC1=CC=CC(C)N1C)CC1CC(C)C1C
InChIInChI=1S/C18H29N/c1-6-16(11-17-10-13(2)15(17)4)12-18-9-7-8-14(3)19(18)5/h6-9,13-15,17H,10-12H2,1-5H3
InChIKeyPTEQGAFYSQMJNW-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.78
Rot. Bonds4

About 6-[2-[(2,3-dimethylcyclobutyl)methyl]but-2-enyl]-1,2-dimethyl-2H-pyridine

6-[2-[(2,3-dimethylcyclobutyl)methyl]but-2-enyl]-1,2-dimethyl-2H-pyridine (PubChem CID 123251562) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 6-[2-[(2,3-dimethylcyclobutyl)methyl]but-2-enyl]-1,2-dimethyl-2H-pyridine.

Molecular Properties

Compound Name6-[2-[(2,3-dimethylcyclobutyl)methyl]but-2-enyl]-1,2-dimethyl-2H-pyridine
PubChem CID123251562
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name6-[2-[(2,3-dimethylcyclobutyl)methyl]but-2-enyl]-1,2-dimethyl-2H-pyridine
SMILESCC=C(CC1=CC=CC(C)N1C)CC1CC(C)C1C
InChIInChI=1S/C18H29N/c1-6-16(11-17-10-13(2)15(17)4)12-18-9-7-8-14(3)19(18)5/h6-9,13-15,17H,10-12H2,1-5H3
InChIKeyPTEQGAFYSQMJNW-UHFFFAOYSA-N
XLogP4.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2,3-dimethylcyclobutyl)methyl]but-2-enyl]-1,2-dimethyl-2H-pyridine?
The IUPAC name of 6-[2-[(2,3-dimethylcyclobutyl)methyl]but-2-enyl]-1,2-dimethyl-2H-pyridine (CID 123251562) is 6-[2-[(2,3-dimethylcyclobutyl)methyl]but-2-enyl]-1,2-dimethyl-2H-pyridine.
What is the SMILES notation for 6-[2-[(2,3-dimethylcyclobutyl)methyl]but-2-enyl]-1,2-dimethyl-2H-pyridine?
The canonical SMILES for 6-[2-[(2,3-dimethylcyclobutyl)methyl]but-2-enyl]-1,2-dimethyl-2H-pyridine is CC=C(CC1=CC=CC(C)N1C)CC1CC(C)C1C.
What is the InChIKey of 6-[2-[(2,3-dimethylcyclobutyl)methyl]but-2-enyl]-1,2-dimethyl-2H-pyridine?
The InChIKey is PTEQGAFYSQMJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-6-16(11-17-10-13(2)15(17)4)12-18-9-7-8-14(3)19(18)5/h6-9,13-15,17H,10-12H2,1-5H3.
What are the key properties of 6-[2-[(2,3-dimethylcyclobutyl)methyl]but-2-enyl]-1,2-dimethyl-2H-pyridine?
6-[2-[(2,3-dimethylcyclobutyl)methyl]but-2-enyl]-1,2-dimethyl-2H-pyridine has a molecular weight of 259.44 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2,3-dimethylcyclobutyl)methyl]but-2-enyl]-1,2-dimethyl-2H-pyridine is sourced from PubChem (CID 123251562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).