6-(2,3-dimethylpentan-2-yl)-2,4,6-trimethyl-3-methylidene-7,7a-dihydro-5H-cyclopenta[b]pyridine

C19H31N — CID 126670215

IUPAC6-(2,3-dimethylpentan-2-yl)-2,4,6-trimethyl-3-methylidene-7,7a-dihydro-5H-cyclopenta[b]pyridine
SMILESC=C1C(C)=NC2CC(C)(C(C)(C)C(C)CC)CC2=C1C
InChIInChI=1S/C19H31N/c1-9-12(2)18(6,7)19(8)10-16-14(4)13(3)15(5)20-17(16)11-19/h12,17H,3,9-11H2,1-2,4-8H3
InChIKeyKBHDGYRWKRZRND-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.57
Rot. Bonds3

About 6-(2,3-dimethylpentan-2-yl)-2,4,6-trimethyl-3-methylidene-7,7a-dihydro-5H-cyclopenta[b]pyridine

6-(2,3-dimethylpentan-2-yl)-2,4,6-trimethyl-3-methylidene-7,7a-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 126670215) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 6-(2,3-dimethylpentan-2-yl)-2,4,6-trimethyl-3-methylidene-7,7a-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name6-(2,3-dimethylpentan-2-yl)-2,4,6-trimethyl-3-methylidene-7,7a-dihydro-5H-cyclopenta[b]pyridine
PubChem CID126670215
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name6-(2,3-dimethylpentan-2-yl)-2,4,6-trimethyl-3-methylidene-7,7a-dihydro-5H-cyclopenta[b]pyridine
SMILESC=C1C(C)=NC2CC(C)(C(C)(C)C(C)CC)CC2=C1C
InChIInChI=1S/C19H31N/c1-9-12(2)18(6,7)19(8)10-16-14(4)13(3)15(5)20-17(16)11-19/h12,17H,3,9-11H2,1-2,4-8H3
InChIKeyKBHDGYRWKRZRND-UHFFFAOYSA-N
XLogP5.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-(2,3-dimethylpentan-2-yl)-2,4,6-trimethyl-3-methylidene-7,7a-dihydro-5H-cyclopenta[b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylpentan-2-yl)-2,4,6-trimethyl-3-methylidene-7,7a-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 6-(2,3-dimethylpentan-2-yl)-2,4,6-trimethyl-3-methylidene-7,7a-dihydro-5H-cyclopenta[b]pyridine (CID 126670215) is 6-(2,3-dimethylpentan-2-yl)-2,4,6-trimethyl-3-methylidene-7,7a-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 6-(2,3-dimethylpentan-2-yl)-2,4,6-trimethyl-3-methylidene-7,7a-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 6-(2,3-dimethylpentan-2-yl)-2,4,6-trimethyl-3-methylidene-7,7a-dihydro-5H-cyclopenta[b]pyridine is C=C1C(C)=NC2CC(C)(C(C)(C)C(C)CC)CC2=C1C.
What is the InChIKey of 6-(2,3-dimethylpentan-2-yl)-2,4,6-trimethyl-3-methylidene-7,7a-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is KBHDGYRWKRZRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-9-12(2)18(6,7)19(8)10-16-14(4)13(3)15(5)20-17(16)11-19/h12,17H,3,9-11H2,1-2,4-8H3.
What are the key properties of 6-(2,3-dimethylpentan-2-yl)-2,4,6-trimethyl-3-methylidene-7,7a-dihydro-5H-cyclopenta[b]pyridine?
6-(2,3-dimethylpentan-2-yl)-2,4,6-trimethyl-3-methylidene-7,7a-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 273.46 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylpentan-2-yl)-2,4,6-trimethyl-3-methylidene-7,7a-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 126670215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).