1-(2-ethylhexyl)-4,4-dimethyl-2,3-dihydropyridine

C15H29N — CID 14955100

IUPAC1-(2-ethylhexyl)-4,4-dimethyl-2,3-dihydropyridine
SMILESCCCCC(CC)CN1C=CC(C)(C)CC1
InChIInChI=1S/C15H29N/c1-5-7-8-14(6-2)13-16-11-9-15(3,4)10-12-16/h9,11,14H,5-8,10,12-13H2,1-4H3
InChIKeyXQKLAFMIBBZYIZ-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.45
Rot. Bonds6

About 1-(2-ethylhexyl)-4,4-dimethyl-2,3-dihydropyridine

1-(2-ethylhexyl)-4,4-dimethyl-2,3-dihydropyridine (PubChem CID 14955100) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-4,4-dimethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name1-(2-ethylhexyl)-4,4-dimethyl-2,3-dihydropyridine
PubChem CID14955100
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name1-(2-ethylhexyl)-4,4-dimethyl-2,3-dihydropyridine
SMILESCCCCC(CC)CN1C=CC(C)(C)CC1
InChIInChI=1S/C15H29N/c1-5-7-8-14(6-2)13-16-11-9-15(3,4)10-12-16/h9,11,14H,5-8,10,12-13H2,1-4H3
InChIKeyXQKLAFMIBBZYIZ-UHFFFAOYSA-N
XLogP4.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-ethylhexyl)-4,4-dimethyl-2,3-dihydropyridine 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 1-(2-ethylhexyl)-4,4-dimethyl-2,3-dihydropyridine?
The IUPAC name of 1-(2-ethylhexyl)-4,4-dimethyl-2,3-dihydropyridine (CID 14955100) is 1-(2-ethylhexyl)-4,4-dimethyl-2,3-dihydropyridine.
What is the SMILES notation for 1-(2-ethylhexyl)-4,4-dimethyl-2,3-dihydropyridine?
The canonical SMILES for 1-(2-ethylhexyl)-4,4-dimethyl-2,3-dihydropyridine is CCCCC(CC)CN1C=CC(C)(C)CC1.
What is the InChIKey of 1-(2-ethylhexyl)-4,4-dimethyl-2,3-dihydropyridine?
The InChIKey is XQKLAFMIBBZYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-5-7-8-14(6-2)13-16-11-9-15(3,4)10-12-16/h9,11,14H,5-8,10,12-13H2,1-4H3.
What are the key properties of 1-(2-ethylhexyl)-4,4-dimethyl-2,3-dihydropyridine?
1-(2-ethylhexyl)-4,4-dimethyl-2,3-dihydropyridine has a molecular weight of 223.40 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-4,4-dimethyl-2,3-dihydropyridine is sourced from PubChem (CID 14955100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).