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

Name: 6-[2-[(2,3-dimethylcyclobutyl)methyl]but-2-enyl]-1,2-dimethyl-2H-pyridine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₂₉N — CID 123251562

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	6-[2-[(2,3-dimethylcyclobutyl)methyl]but-2-enyl]-1,2-dimethyl-2H-pyridine
PubChem CID	123251562
Molecular Formula	C₁₈H₂₉N
Molecular Weight	259.44 g/mol
Exact Mass	259.23
IUPAC Name	6-[2-[(2,3-dimethylcyclobutyl)methyl]but-2-enyl]-1,2-dimethyl-2H-pyridine
SMILES	CC=C(CC1=CC=CC(C)N1C)CC1CC(C)C1C
InChI	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
InChIKey	PTEQGAFYSQMJNW-UHFFFAOYSA-N
XLogP	4.78
TPSA	3.24 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	4
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	259.44
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

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).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 123251562 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.