1-[2-(3,3-dimethylbutoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine

C14H24N2O — CID 113379549

IUPAC1-[2-(3,3-dimethylbutoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(C)nc(OCCC(C)(C)C)c1
InChIInChI=1S/C14H24N2O/c1-11-8-12(10-15-5)9-13(16-11)17-7-6-14(2,3)4/h8-9,15H,6-7,10H2,1-5H3
InChIKeyXWGMXVLCXGMTKA-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.92
Rot. Bonds5

About 1-[2-(3,3-dimethylbutoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine

1-[2-(3,3-dimethylbutoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine (PubChem CID 113379549) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[2-(3,3-dimethylbutoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,3-dimethylbutoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
PubChem CID113379549
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[2-(3,3-dimethylbutoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(C)nc(OCCC(C)(C)C)c1
InChIInChI=1S/C14H24N2O/c1-11-8-12(10-15-5)9-13(16-11)17-7-6-14(2,3)4/h8-9,15H,6-7,10H2,1-5H3
InChIKeyXWGMXVLCXGMTKA-UHFFFAOYSA-N
XLogP2.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,3-dimethylbutoxy)-4-pyridinyl]-N-methylmethanamine
CID 66225919
N-methyl-1-[2-methyl-6-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine
CID 114470514
1-[2-(cyclohexylmethoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
CID 113379534
1-[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
CID 107725916
1-[2-(4-fluorophenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
CID 113379513
2-tert-butyl-6-(3,3-dimethylbutoxy)-4-fluoropyridine
CID 170651568
N-[[2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine
CID 106449501
6-(3,3-dimethylbutoxy)pyrimidine-2,4-diamine
CID 80877647
1-[2-ethyl-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-pyridinyl]-N-methylmethanamine
CID 103175494
2-methyl-6-[2-(methylamino)ethoxy]pyridine-4-carbonitrile
CID 114770421
N-[[2-methyl-6-(2-methylpropoxy)-4-pyridinyl]methyl]propan-2-amine
CID 113379479
1-[2-(3-chloro-2-fluorophenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
CID 116690035

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-dimethylbutoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,3-dimethylbutoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine (CID 113379549) is 1-[2-(3,3-dimethylbutoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,3-dimethylbutoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,3-dimethylbutoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine is CNCc1cc(C)nc(OCCC(C)(C)C)c1.
What is the InChIKey of 1-[2-(3,3-dimethylbutoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine?
The InChIKey is XWGMXVLCXGMTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11-8-12(10-15-5)9-13(16-11)17-7-6-14(2,3)4/h8-9,15H,6-7,10H2,1-5H3.
What are the key properties of 1-[2-(3,3-dimethylbutoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine?
1-[2-(3,3-dimethylbutoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine has a molecular weight of 236.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-dimethylbutoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 113379549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).