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

C11H16N2O — CID 79150479

IUPAC(3-but-3-enoxy-6-methyl-2-pyridinyl)methanamine
SMILESC=CCCOc1ccc(C)nc1CN
InChIInChI=1S/C11H16N2O/c1-3-4-7-14-11-6-5-9(2)13-10(11)8-12/h3,5-6H,1,4,7-8,12H2,2H3
InChIKeyZTORWVNSRPDREN-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.80
Rot. Bonds5

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

(3-but-3-enoxy-6-methyl-2-pyridinyl)methanamine (PubChem CID 79150479) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (3-but-3-enoxy-6-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-but-3-enoxy-6-methyl-2-pyridinyl)methanamine
PubChem CID79150479
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(3-but-3-enoxy-6-methyl-2-pyridinyl)methanamine
SMILESC=CCCOc1ccc(C)nc1CN
InChIInChI=1S/C11H16N2O/c1-3-4-7-14-11-6-5-9(2)13-10(11)8-12/h3,5-6H,1,4,7-8,12H2,2H3
InChIKeyZTORWVNSRPDREN-UHFFFAOYSA-N
XLogP1.80
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-but-3-enoxy-6-methyl-2-pyridinyl)methanamine?
The IUPAC name of (3-but-3-enoxy-6-methyl-2-pyridinyl)methanamine (CID 79150479) is (3-but-3-enoxy-6-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for (3-but-3-enoxy-6-methyl-2-pyridinyl)methanamine?
The canonical SMILES for (3-but-3-enoxy-6-methyl-2-pyridinyl)methanamine is C=CCCOc1ccc(C)nc1CN.
What is the InChIKey of (3-but-3-enoxy-6-methyl-2-pyridinyl)methanamine?
The InChIKey is ZTORWVNSRPDREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-4-7-14-11-6-5-9(2)13-10(11)8-12/h3,5-6H,1,4,7-8,12H2,2H3.
What are the key properties of (3-but-3-enoxy-6-methyl-2-pyridinyl)methanamine?
(3-but-3-enoxy-6-methyl-2-pyridinyl)methanamine has a molecular weight of 192.26 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-but-3-enoxy-6-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 79150479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).