N-methyl-1-[2-methyl-6-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine

C13H20N2O — CID 114470514

IUPACN-methyl-1-[2-methyl-6-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine
SMILESC=C(C)CCOc1cc(CNC)cc(C)n1
InChIInChI=1S/C13H20N2O/c1-10(2)5-6-16-13-8-12(9-14-4)7-11(3)15-13/h7-8,14H,1,5-6,9H2,2-4H3
InChIKeyJIJGUGHKTZIKDK-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.45
Rot. Bonds6

About N-methyl-1-[2-methyl-6-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine

N-methyl-1-[2-methyl-6-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine (PubChem CID 114470514) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-6-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-6-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine
PubChem CID114470514
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-methyl-1-[2-methyl-6-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine
SMILESC=C(C)CCOc1cc(CNC)cc(C)n1
InChIInChI=1S/C13H20N2O/c1-10(2)5-6-16-13-8-12(9-14-4)7-11(3)15-13/h7-8,14H,1,5-6,9H2,2-4H3
InChIKeyJIJGUGHKTZIKDK-UHFFFAOYSA-N
XLogP2.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3,3-dimethylbutoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
CID 113379549
2-methyl-6-(3-methylbut-3-enoxy)pyridine-4-carbonitrile
CID 114766998
N-methyl-1-[6-(3-methylbut-3-enoxy)-2-pyridinyl]methanamine
CID 114470605
2-methyl-N-[[2-(3-methylbut-3-enoxy)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine
CID 114470486
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-methyl-N-[[2-(3-methylbut-3-enoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114470489
[2-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine
CID 114470522
1,3-dimethyl-5-(3-methylbut-3-enoxy)benzene
CID 114477410
1-[5-bromo-3-methyl-2-(3-methylbut-3-enoxy)phenyl]-N-methylmethanamine
CID 114471749
2-methyl-N-[[2-methyl-6-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]propan-2-amine
CID 114470537

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-6-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[2-methyl-6-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine (CID 114470514) is N-methyl-1-[2-methyl-6-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-methyl-6-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[2-methyl-6-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine is C=C(C)CCOc1cc(CNC)cc(C)n1.
What is the InChIKey of N-methyl-1-[2-methyl-6-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine?
The InChIKey is JIJGUGHKTZIKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)5-6-16-13-8-12(9-14-4)7-11(3)15-13/h7-8,14H,1,5-6,9H2,2-4H3.
What are the key properties of N-methyl-1-[2-methyl-6-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine?
N-methyl-1-[2-methyl-6-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine has a molecular weight of 220.32 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-methyl-6-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 114470514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).