N-[(2-but-2-enoxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine

C14H22N2O — CID 76938399

IUPACN-[(2-but-2-enoxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine
SMILESCC=CCOc1nc(C)cc(C)c1CNCC
InChIInChI=1S/C14H22N2O/c1-5-7-8-17-14-13(10-15-6-2)11(3)9-12(4)16-14/h5,7,9,15H,6,8,10H2,1-4H3
InChIKeyBMDOYKPLKNBRLZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.76
Rot. Bonds6

About N-[(2-but-2-enoxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine

N-[(2-but-2-enoxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine (PubChem CID 76938399) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(2-but-2-enoxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-but-2-enoxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine
PubChem CID76938399
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(2-but-2-enoxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine
SMILESCC=CCOc1nc(C)cc(C)c1CNCC
InChIInChI=1S/C14H22N2O/c1-5-7-8-17-14-13(10-15-6-2)11(3)9-12(4)16-14/h5,7,9,15H,6,8,10H2,1-4H3
InChIKeyBMDOYKPLKNBRLZ-UHFFFAOYSA-N
XLogP2.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-but-2-enoxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(2-but-2-enoxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine (CID 76938399) is N-[(2-but-2-enoxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-but-2-enoxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(2-but-2-enoxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine is CC=CCOc1nc(C)cc(C)c1CNCC.
What is the InChIKey of N-[(2-but-2-enoxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is BMDOYKPLKNBRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-7-8-17-14-13(10-15-6-2)11(3)9-12(4)16-14/h5,7,9,15H,6,8,10H2,1-4H3.
What are the key properties of N-[(2-but-2-enoxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine?
N-[(2-but-2-enoxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 234.34 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-but-2-enoxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 76938399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).