(3-but-2-enoxy-6-methyl-2-pyridinyl)methanamine

C11H16N2O — CID 79151556

IUPAC(3-but-2-enoxy-6-methyl-2-pyridinyl)methanamine
SMILESCC=CCOc1ccc(C)nc1CN
InChIInChI=1S/C11H16N2O/c1-3-4-7-14-11-6-5-9(2)13-10(11)8-12/h3-6H,7-8,12H2,1-2H3
InChIKeyAOCHEUODNBNCAI-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.80
Rot. Bonds4

About (3-but-2-enoxy-6-methyl-2-pyridinyl)methanamine

(3-but-2-enoxy-6-methyl-2-pyridinyl)methanamine (PubChem CID 79151556) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (3-but-2-enoxy-6-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-but-2-enoxy-6-methyl-2-pyridinyl)methanamine
PubChem CID79151556
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(3-but-2-enoxy-6-methyl-2-pyridinyl)methanamine
SMILESCC=CCOc1ccc(C)nc1CN
InChIInChI=1S/C11H16N2O/c1-3-4-7-14-11-6-5-9(2)13-10(11)8-12/h3-6H,7-8,12H2,1-2H3
InChIKeyAOCHEUODNBNCAI-UHFFFAOYSA-N
XLogP1.80
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.80
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

(3-but-3-enoxy-6-methyl-2-pyridinyl)methanamine
CID 79150479
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 114524856
(6-methyl-3-phenylmethoxy-2-pyridinyl)methanamine
CID 58869463
(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanamine
CID 79163718
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-methylpropanamide
CID 79162338
methyl 2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]acetate
CID 79151411
[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methanamine
CID 113326257
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]propane-1,2-diol
CID 82850120
[3-[2-(4-bromophenoxy)ethoxy]-6-methyl-2-pyridinyl]methanamine
CID 79150713
(6-but-2-enoxy-3-chloro-2-pyridinyl)methanamine
CID 76938382
[3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanamine
CID 79163176
[6-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methanamine
CID 102999840

Frequently Asked Questions

What is the IUPAC name of (3-but-2-enoxy-6-methyl-2-pyridinyl)methanamine?
The IUPAC name of (3-but-2-enoxy-6-methyl-2-pyridinyl)methanamine (CID 79151556) is (3-but-2-enoxy-6-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for (3-but-2-enoxy-6-methyl-2-pyridinyl)methanamine?
The canonical SMILES for (3-but-2-enoxy-6-methyl-2-pyridinyl)methanamine is CC=CCOc1ccc(C)nc1CN.
What is the InChIKey of (3-but-2-enoxy-6-methyl-2-pyridinyl)methanamine?
The InChIKey is AOCHEUODNBNCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-4-7-14-11-6-5-9(2)13-10(11)8-12/h3-6H,7-8,12H2,1-2H3.
What are the key properties of (3-but-2-enoxy-6-methyl-2-pyridinyl)methanamine?
(3-but-2-enoxy-6-methyl-2-pyridinyl)methanamine has a molecular weight of 192.26 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-but-2-enoxy-6-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 79151556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).