4-(2,3-dimethylbutan-2-yl)-1-methyl-3,6-dihydro-2H-pyridine

C12H23N — CID 142404018

IUPAC4-(2,3-dimethylbutan-2-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCC(C)C(C)(C)C1=CCN(C)CC1
InChIInChI=1S/C12H23N/c1-10(2)12(3,4)11-6-8-13(5)9-7-11/h6,10H,7-9H2,1-5H3
InChIKeyCHPZMLZFCHVJNA-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.93
Rot. Bonds2

About 4-(2,3-dimethylbutan-2-yl)-1-methyl-3,6-dihydro-2H-pyridine

4-(2,3-dimethylbutan-2-yl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 142404018) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 4-(2,3-dimethylbutan-2-yl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(2,3-dimethylbutan-2-yl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID142404018
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name4-(2,3-dimethylbutan-2-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCC(C)C(C)(C)C1=CCN(C)CC1
InChIInChI=1S/C12H23N/c1-10(2)12(3,4)11-6-8-13(5)9-7-11/h6,10H,7-9H2,1-5H3
InChIKeyCHPZMLZFCHVJNA-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-(2,3-dimethylbutan-2-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(2,3-dimethylbutan-2-yl)-1-methyl-3,6-dihydro-2H-pyridine (CID 142404018) is 4-(2,3-dimethylbutan-2-yl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(2,3-dimethylbutan-2-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(2,3-dimethylbutan-2-yl)-1-methyl-3,6-dihydro-2H-pyridine is CC(C)C(C)(C)C1=CCN(C)CC1.
What is the InChIKey of 4-(2,3-dimethylbutan-2-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is CHPZMLZFCHVJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10(2)12(3,4)11-6-8-13(5)9-7-11/h6,10H,7-9H2,1-5H3.
What are the key properties of 4-(2,3-dimethylbutan-2-yl)-1-methyl-3,6-dihydro-2H-pyridine?
4-(2,3-dimethylbutan-2-yl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 181.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbutan-2-yl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 142404018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).