3-(2,2-dimethylpropyl)-6-[2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]-1,2,3,6-tetrahydropyridine

C20H36N2 — CID 129100138

IUPAC3-(2,2-dimethylpropyl)-6-[2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]-1,2,3,6-tetrahydropyridine
SMILESCN1CC=C(C(C)(C)CC2C=CC(CC(C)(C)C)CN2)CC1
InChIInChI=1S/C20H36N2/c1-19(2,3)13-16-7-8-18(21-15-16)14-20(4,5)17-9-11-22(6)12-10-17/h7-9,16,18,21H,10-15H2,1-6H3
InChIKeyAOLABPICLNLAJP-UHFFFAOYSA-N
MW304.52 g/mol
LogP4.24
Rot. Bonds4

About 3-(2,2-dimethylpropyl)-6-[2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]-1,2,3,6-tetrahydropyridine

3-(2,2-dimethylpropyl)-6-[2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]-1,2,3,6-tetrahydropyridine (PubChem CID 129100138) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-6-[2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-6-[2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]-1,2,3,6-tetrahydropyridine
PubChem CID129100138
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name3-(2,2-dimethylpropyl)-6-[2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]-1,2,3,6-tetrahydropyridine
SMILESCN1CC=C(C(C)(C)CC2C=CC(CC(C)(C)C)CN2)CC1
InChIInChI=1S/C20H36N2/c1-19(2,3)13-16-7-8-18(21-15-16)14-20(4,5)17-9-11-22(6)12-10-17/h7-9,16,18,21H,10-15H2,1-6H3
InChIKeyAOLABPICLNLAJP-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-(2,2-dimethylpropyl)-6-[2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 3-(2,2-dimethylpropyl)-6-[2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]-1,2,3,6-tetrahydropyridine (CID 129100138) is 3-(2,2-dimethylpropyl)-6-[2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-6-[2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-6-[2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]-1,2,3,6-tetrahydropyridine is CN1CC=C(C(C)(C)CC2C=CC(CC(C)(C)C)CN2)CC1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-6-[2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is AOLABPICLNLAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2/c1-19(2,3)13-16-7-8-18(21-15-16)14-20(4,5)17-9-11-22(6)12-10-17/h7-9,16,18,21H,10-15H2,1-6H3.
What are the key properties of 3-(2,2-dimethylpropyl)-6-[2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]-1,2,3,6-tetrahydropyridine?
3-(2,2-dimethylpropyl)-6-[2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 304.52 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-6-[2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 129100138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).