1-methyl-5,6-di(propan-2-yl)-3,4-dihydro-2H-pyridine

C12H23N — CID 59339009

IUPAC1-methyl-5,6-di(propan-2-yl)-3,4-dihydro-2H-pyridine
SMILESCC(C)C1=C(C(C)C)N(C)CCC1
InChIInChI=1S/C12H23N/c1-9(2)11-7-6-8-13(5)12(11)10(3)4/h9-10H,6-8H2,1-5H3
InChIKeyKQNOYVHMGAPUQC-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.28
Rot. Bonds2

About 1-methyl-5,6-di(propan-2-yl)-3,4-dihydro-2H-pyridine

1-methyl-5,6-di(propan-2-yl)-3,4-dihydro-2H-pyridine (PubChem CID 59339009) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-methyl-5,6-di(propan-2-yl)-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-5,6-di(propan-2-yl)-3,4-dihydro-2H-pyridine
PubChem CID59339009
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-methyl-5,6-di(propan-2-yl)-3,4-dihydro-2H-pyridine
SMILESCC(C)C1=C(C(C)C)N(C)CCC1
InChIInChI=1S/C12H23N/c1-9(2)11-7-6-8-13(5)12(11)10(3)4/h9-10H,6-8H2,1-5H3
InChIKeyKQNOYVHMGAPUQC-UHFFFAOYSA-N
XLogP3.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-5,6-di(propan-2-yl)-3,4-dihydro-2H-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 1-methyl-5,6-di(propan-2-yl)-3,4-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-5,6-di(propan-2-yl)-3,4-dihydro-2H-pyridine (CID 59339009) is 1-methyl-5,6-di(propan-2-yl)-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-5,6-di(propan-2-yl)-3,4-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-5,6-di(propan-2-yl)-3,4-dihydro-2H-pyridine is CC(C)C1=C(C(C)C)N(C)CCC1.
What is the InChIKey of 1-methyl-5,6-di(propan-2-yl)-3,4-dihydro-2H-pyridine?
The InChIKey is KQNOYVHMGAPUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)11-7-6-8-13(5)12(11)10(3)4/h9-10H,6-8H2,1-5H3.
What are the key properties of 1-methyl-5,6-di(propan-2-yl)-3,4-dihydro-2H-pyridine?
1-methyl-5,6-di(propan-2-yl)-3,4-dihydro-2H-pyridine has a molecular weight of 181.32 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,6-di(propan-2-yl)-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 59339009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).