1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine;propane

C15H31NO — CID 145137534

IUPAC1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine;propane
SMILESCCC.COCC(C)(C)CN1CC=C(C)CC1
InChIInChI=1S/C12H23NO.C3H8/c1-11-5-7-13(8-6-11)9-12(2,3)10-14-4;1-3-2/h5H,6-10H2,1-4H3;3H2,1-2H3
InChIKeyYLIJPRICWUBFRS-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.73
Rot. Bonds4

About 1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine;propane

1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine;propane (PubChem CID 145137534) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine;propane.

Molecular Properties

Compound Name1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine;propane
PubChem CID145137534
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine;propane
SMILESCCC.COCC(C)(C)CN1CC=C(C)CC1
InChIInChI=1S/C12H23NO.C3H8/c1-11-5-7-13(8-6-11)9-12(2,3)10-14-4;1-3-2/h5H,6-10H2,1-4H3;3H2,1-2H3
InChIKeyYLIJPRICWUBFRS-UHFFFAOYSA-N
XLogP3.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine;propane 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

(3S)-3-(ethoxymethyl)-4-fluoro-1,3-dimethyl-2,6-dihydropyridine
CID 177009762
(3S)-4-fluoro-3-(methoxymethyl)-1,3-dimethyl-2,6-dihydropyridine
CID 177009817
3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 14442216
5-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 19933885
1-(2-methoxyethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 89286486
6-methoxy-1,4-dimethyl-3,6-dihydro-2H-pyridine
CID 123353330
5-ethyl-1-[(2-methylpropan-2-yl)oxymethyl]-3,6-dihydro-2H-pyridine
CID 123964482
3-methoxy-N-methyl-N-prop-2-enylpropan-1-amine;(Z)-pent-2-ene
CID 142148052
methane;3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 158474492
ethane;1-(2-methoxyethoxymethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 163257855
(E)-N,4-diethyl-N-(3-methoxypropyl)hept-4-en-1-amine
CID 167281240
(Z)-N-(2-methoxyethyl)-N,3-dimethylpent-3-en-1-amine
CID 168224710

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine;propane?
The IUPAC name of 1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine;propane (CID 145137534) is 1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine;propane.
What is the SMILES notation for 1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine;propane?
The canonical SMILES for 1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine;propane is CCC.COCC(C)(C)CN1CC=C(C)CC1.
What is the InChIKey of 1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine;propane?
The InChIKey is YLIJPRICWUBFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO.C3H8/c1-11-5-7-13(8-6-11)9-12(2,3)10-14-4;1-3-2/h5H,6-10H2,1-4H3;3H2,1-2H3.
What are the key properties of 1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine;propane?
1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine;propane has a molecular weight of 241.42 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine;propane is sourced from PubChem (CID 145137534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).