1-(3-but-2-ynoxy-6-methyl-2-pyridinyl)-N-methylmethanamine

C12H16N2O — CID 79151354

IUPAC1-(3-but-2-ynoxy-6-methyl-2-pyridinyl)-N-methylmethanamine
SMILESCC#CCOc1ccc(C)nc1CNC
InChIInChI=1S/C12H16N2O/c1-4-5-8-15-12-7-6-10(2)14-11(12)9-13-3/h6-7,13H,8-9H2,1-3H3
InChIKeyNMNMZURCXPMGRH-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.51
Rot. Bonds4

About 1-(3-but-2-ynoxy-6-methyl-2-pyridinyl)-N-methylmethanamine

1-(3-but-2-ynoxy-6-methyl-2-pyridinyl)-N-methylmethanamine (PubChem CID 79151354) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(3-but-2-ynoxy-6-methyl-2-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-but-2-ynoxy-6-methyl-2-pyridinyl)-N-methylmethanamine
PubChem CID79151354
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(3-but-2-ynoxy-6-methyl-2-pyridinyl)-N-methylmethanamine
SMILESCC#CCOc1ccc(C)nc1CNC
InChIInChI=1S/C12H16N2O/c1-4-5-8-15-12-7-6-10(2)14-11(12)9-13-3/h6-7,13H,8-9H2,1-3H3
InChIKeyNMNMZURCXPMGRH-UHFFFAOYSA-N
XLogP1.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanamine
CID 79150580
1-[3-[(4-methoxyphenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 79150973
N-methyl-1-[6-methyl-3-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]methanamine
CID 106450396
N-methyl-1-[6-methyl-3-(thiophen-2-ylmethoxy)-2-pyridinyl]methanamine
CID 79150645
1-[3-[(3,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 82918461
N-methyl-1-[6-methyl-3-(2-pyridin-2-ylethoxy)-2-pyridinyl]methanamine
CID 79151107
N-carbamoyl-2-[[6-methyl-2-(methylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79150653
N-methyl-1-[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methanamine
CID 79150803
N-methyl-1-[6-methyl-3-[(4-nitrophenyl)methoxy]-2-pyridinyl]methanamine
CID 79157121
3-[[6-methyl-2-(methylaminomethyl)-3-pyridinyl]oxy]-N-propan-2-ylpropanamide
CID 79151271
1-[3-(1-methoxypropan-2-yloxy)-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 79151186
1-[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 79151277

Frequently Asked Questions

What is the IUPAC name of 1-(3-but-2-ynoxy-6-methyl-2-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(3-but-2-ynoxy-6-methyl-2-pyridinyl)-N-methylmethanamine (CID 79151354) is 1-(3-but-2-ynoxy-6-methyl-2-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-but-2-ynoxy-6-methyl-2-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-but-2-ynoxy-6-methyl-2-pyridinyl)-N-methylmethanamine is CC#CCOc1ccc(C)nc1CNC.
What is the InChIKey of 1-(3-but-2-ynoxy-6-methyl-2-pyridinyl)-N-methylmethanamine?
The InChIKey is NMNMZURCXPMGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-4-5-8-15-12-7-6-10(2)14-11(12)9-13-3/h6-7,13H,8-9H2,1-3H3.
What are the key properties of 1-(3-but-2-ynoxy-6-methyl-2-pyridinyl)-N-methylmethanamine?
1-(3-but-2-ynoxy-6-methyl-2-pyridinyl)-N-methylmethanamine has a molecular weight of 204.27 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-but-2-ynoxy-6-methyl-2-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 79151354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).