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

C13H28N2O — CID 103034849

IUPAC2-[1-(3-methoxy-3-methylbutyl)piperidin-3-yl]ethanamine
SMILESCOC(C)(C)CCN1CCCC(CCN)C1
InChIInChI=1S/C13H28N2O/c1-13(2,16-3)7-10-15-9-4-5-12(11-15)6-8-14/h12H,4-11,14H2,1-3H3
InChIKeyBHCAVYRXFFUDFU-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds6

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

2-[1-(3-methoxy-3-methylbutyl)piperidin-3-yl]ethanamine (PubChem CID 103034849) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[1-(3-methoxy-3-methylbutyl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-methoxy-3-methylbutyl)piperidin-3-yl]ethanamine
PubChem CID103034849
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-[1-(3-methoxy-3-methylbutyl)piperidin-3-yl]ethanamine
SMILESCOC(C)(C)CCN1CCCC(CCN)C1
InChIInChI=1S/C13H28N2O/c1-13(2,16-3)7-10-15-9-4-5-12(11-15)6-8-14/h12H,4-11,14H2,1-3H3
InChIKeyBHCAVYRXFFUDFU-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxy-3-methylbutyl)piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(3-methoxy-3-methylbutyl)piperidin-3-yl]ethanamine (CID 103034849) is 2-[1-(3-methoxy-3-methylbutyl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-methoxy-3-methylbutyl)piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(3-methoxy-3-methylbutyl)piperidin-3-yl]ethanamine is COC(C)(C)CCN1CCCC(CCN)C1.
What is the InChIKey of 2-[1-(3-methoxy-3-methylbutyl)piperidin-3-yl]ethanamine?
The InChIKey is BHCAVYRXFFUDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(2,16-3)7-10-15-9-4-5-12(11-15)6-8-14/h12H,4-11,14H2,1-3H3.
What are the key properties of 2-[1-(3-methoxy-3-methylbutyl)piperidin-3-yl]ethanamine?
2-[1-(3-methoxy-3-methylbutyl)piperidin-3-yl]ethanamine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxy-3-methylbutyl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 103034849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).