1-[1-(3-methoxy-3-methylbutyl)piperidin-2-yl]ethanamine

C13H28N2O — CID 103032462

IUPAC1-[1-(3-methoxy-3-methylbutyl)piperidin-2-yl]ethanamine
SMILESCOC(C)(C)CCN1CCCCC1C(C)N
InChIInChI=1S/C13H28N2O/c1-11(14)12-7-5-6-9-15(12)10-8-13(2,3)16-4/h11-12H,5-10,14H2,1-4H3
InChIKeyZZTGYAZUSMDWDH-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.00
Rot. Bonds5

About 1-[1-(3-methoxy-3-methylbutyl)piperidin-2-yl]ethanamine

1-[1-(3-methoxy-3-methylbutyl)piperidin-2-yl]ethanamine (PubChem CID 103032462) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-[1-(3-methoxy-3-methylbutyl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-methoxy-3-methylbutyl)piperidin-2-yl]ethanamine
PubChem CID103032462
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-[1-(3-methoxy-3-methylbutyl)piperidin-2-yl]ethanamine
SMILESCOC(C)(C)CCN1CCCCC1C(C)N
InChIInChI=1S/C13H28N2O/c1-11(14)12-7-5-6-9-15(12)10-8-13(2,3)16-4/h11-12H,5-10,14H2,1-4H3
InChIKeyZZTGYAZUSMDWDH-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxy-3-methylbutyl)piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-(3-methoxy-3-methylbutyl)piperidin-2-yl]ethanamine (CID 103032462) is 1-[1-(3-methoxy-3-methylbutyl)piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-(3-methoxy-3-methylbutyl)piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-(3-methoxy-3-methylbutyl)piperidin-2-yl]ethanamine is COC(C)(C)CCN1CCCCC1C(C)N.
What is the InChIKey of 1-[1-(3-methoxy-3-methylbutyl)piperidin-2-yl]ethanamine?
The InChIKey is ZZTGYAZUSMDWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(14)12-7-5-6-9-15(12)10-8-13(2,3)16-4/h11-12H,5-10,14H2,1-4H3.
What are the key properties of 1-[1-(3-methoxy-3-methylbutyl)piperidin-2-yl]ethanamine?
1-[1-(3-methoxy-3-methylbutyl)piperidin-2-yl]ethanamine has a molecular weight of 228.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxy-3-methylbutyl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 103032462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).