4-(2-methylpentan-3-yl)-2,3-dihydropyridine

C11H19N — CID 129189646

IUPAC4-(2-methylpentan-3-yl)-2,3-dihydropyridine
SMILESCCC(C1=CC=NCC1)C(C)C
InChIInChI=1S/C11H19N/c1-4-11(9(2)3)10-5-7-12-8-6-10/h5,7,9,11H,4,6,8H2,1-3H3
InChIKeyPCDZTRGMOSZTCT-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.07
Rot. Bonds3

About 4-(2-methylpentan-3-yl)-2,3-dihydropyridine

4-(2-methylpentan-3-yl)-2,3-dihydropyridine (PubChem CID 129189646) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 4-(2-methylpentan-3-yl)-2,3-dihydropyridine.

Molecular Properties

Compound Name4-(2-methylpentan-3-yl)-2,3-dihydropyridine
PubChem CID129189646
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name4-(2-methylpentan-3-yl)-2,3-dihydropyridine
SMILESCCC(C1=CC=NCC1)C(C)C
InChIInChI=1S/C11H19N/c1-4-11(9(2)3)10-5-7-12-8-6-10/h5,7,9,11H,4,6,8H2,1-3H3
InChIKeyPCDZTRGMOSZTCT-UHFFFAOYSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(2-methylpentan-3-yl)-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 4-(2-methylpentan-3-yl)-2,3-dihydropyridine?
The IUPAC name of 4-(2-methylpentan-3-yl)-2,3-dihydropyridine (CID 129189646) is 4-(2-methylpentan-3-yl)-2,3-dihydropyridine.
What is the SMILES notation for 4-(2-methylpentan-3-yl)-2,3-dihydropyridine?
The canonical SMILES for 4-(2-methylpentan-3-yl)-2,3-dihydropyridine is CCC(C1=CC=NCC1)C(C)C.
What is the InChIKey of 4-(2-methylpentan-3-yl)-2,3-dihydropyridine?
The InChIKey is PCDZTRGMOSZTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-4-11(9(2)3)10-5-7-12-8-6-10/h5,7,9,11H,4,6,8H2,1-3H3.
What are the key properties of 4-(2-methylpentan-3-yl)-2,3-dihydropyridine?
4-(2-methylpentan-3-yl)-2,3-dihydropyridine has a molecular weight of 165.28 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpentan-3-yl)-2,3-dihydropyridine is sourced from PubChem (CID 129189646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).