2-(2,2-dimethylpropyl)-1-methyl-3,6-dihydro-2H-pyridine

C11H21N — CID 171834248

IUPAC2-(2,2-dimethylpropyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=CCC1CC(C)(C)C
InChIInChI=1S/C11H21N/c1-11(2,3)9-10-7-5-6-8-12(10)4/h5-6,10H,7-9H2,1-4H3
InChIKeyHHVWDWOZJJGRLT-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.68
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-1-methyl-3,6-dihydro-2H-pyridine

2-(2,2-dimethylpropyl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 171834248) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID171834248
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-(2,2-dimethylpropyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=CCC1CC(C)(C)C
InChIInChI=1S/C11H21N/c1-11(2,3)9-10-7-5-6-8-12(10)4/h5-6,10H,7-9H2,1-4H3
InChIKeyHHVWDWOZJJGRLT-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2,2-dimethylpropyl)-1-methyl-3,6-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

Related Compounds

1-Methyl-4-tert-butyl-delta3-piperideine
CID 180571
n,n-Diethylcyclohex-2-en-1-amine
CID 258777
(2R,6S)-1,1-dimethyl-2,6-bis(2-methylprop-2-en-1-yl)-1,2,3,6-tetrahydropyridinium
CID 7126531
trans-2,6-Dimethallyl-1,1-dimethyl-2,3,4,5,6-pen tadeutero-1,2,3,6-tetrahydropyridinium iodide
CID 15315502
trans-2,6-Dimethallyl-1,1-dimethyl-1,2,3,6-tetrahydropyridinium iodide
CID 15315504
N-butyl-N-methylcyclohex-2-en-1-amine
CID 101171152
2,3,4,5,6-pentadeuterio-1,1-dimethyl-2,6-bis(2-methylprop-2-enyl)-3H-pyridin-1-ium
CID 17386630
(1R,5S)-N,2-dimethyl-5-prop-1-en-2-yl-N-prop-2-enylcyclohex-2-en-1-amine
CID 10420497
(E)-N,N-dibutyl-5,5,7,7-tetramethyloct-2-en-1-amine
CID 11011888
(E)-N-butyl-5,5,7,7-tetramethyl-N-[(E)-5,5,7,7-tetramethyloct-2-enyl]oct-2-en-1-amine
CID 19839202
N,N-dimethyl-1-(2-methylcyclohexa-1,4-dien-1-yl)propan-1-amine
CID 20365134
N,N-dimethyl-1-(2-methylcyclohexa-1,4-dien-1-yl)butan-1-amine
CID 20365140

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 2-(2,2-dimethylpropyl)-1-methyl-3,6-dihydro-2H-pyridine (CID 171834248) is 2-(2,2-dimethylpropyl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-1-methyl-3,6-dihydro-2H-pyridine is CN1CC=CCC1CC(C)(C)C.
What is the InChIKey of 2-(2,2-dimethylpropyl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is HHVWDWOZJJGRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-11(2,3)9-10-7-5-6-8-12(10)4/h5-6,10H,7-9H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-1-methyl-3,6-dihydro-2H-pyridine?
2-(2,2-dimethylpropyl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 167.30 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 171834248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).