2-methoxy-N-[[1-(3-methylbut-2-enyl)piperidin-2-yl]methyl]ethanamine

C14H28N2O — CID 63853216

IUPAC2-methoxy-N-[[1-(3-methylbut-2-enyl)piperidin-2-yl]methyl]ethanamine
SMILESCOCCNCC1CCCCN1CC=C(C)C
InChIInChI=1S/C14H28N2O/c1-13(2)7-10-16-9-5-4-6-14(16)12-15-8-11-17-3/h7,14-15H,4-6,8-12H2,1-3H3
InChIKeyHGMYTIXWAUBFKB-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.04
Rot. Bonds7

About 2-methoxy-N-[[1-(3-methylbut-2-enyl)piperidin-2-yl]methyl]ethanamine

2-methoxy-N-[[1-(3-methylbut-2-enyl)piperidin-2-yl]methyl]ethanamine (PubChem CID 63853216) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(3-methylbut-2-enyl)piperidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(3-methylbut-2-enyl)piperidin-2-yl]methyl]ethanamine
PubChem CID63853216
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-methoxy-N-[[1-(3-methylbut-2-enyl)piperidin-2-yl]methyl]ethanamine
SMILESCOCCNCC1CCCCN1CC=C(C)C
InChIInChI=1S/C14H28N2O/c1-13(2)7-10-16-9-5-4-6-14(16)12-15-8-11-17-3/h7,14-15H,4-6,8-12H2,1-3H3
InChIKeyHGMYTIXWAUBFKB-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.04
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 2-methoxy-N-[[1-(3-methylbut-2-enyl)piperidin-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(3-methylbut-2-enyl)piperidin-2-yl]methyl]ethanamine (CID 63853216) is 2-methoxy-N-[[1-(3-methylbut-2-enyl)piperidin-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(3-methylbut-2-enyl)piperidin-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(3-methylbut-2-enyl)piperidin-2-yl]methyl]ethanamine is COCCNCC1CCCCN1CC=C(C)C.
What is the InChIKey of 2-methoxy-N-[[1-(3-methylbut-2-enyl)piperidin-2-yl]methyl]ethanamine?
The InChIKey is HGMYTIXWAUBFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-13(2)7-10-16-9-5-4-6-14(16)12-15-8-11-17-3/h7,14-15H,4-6,8-12H2,1-3H3.
What are the key properties of 2-methoxy-N-[[1-(3-methylbut-2-enyl)piperidin-2-yl]methyl]ethanamine?
2-methoxy-N-[[1-(3-methylbut-2-enyl)piperidin-2-yl]methyl]ethanamine has a molecular weight of 240.39 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(3-methylbut-2-enyl)piperidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 63853216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).