2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethanamine

C13H28N2O — CID 82693638

IUPAC2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethanamine
SMILESCC(C)(C)CCN1CCC(OCCN)CC1
InChIInChI=1S/C13H28N2O/c1-13(2,3)6-10-15-8-4-12(5-9-15)16-11-7-14/h12H,4-11,14H2,1-3H3
InChIKeyFKUUCAOZLRXHPP-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds5

About 2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethanamine

2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethanamine (PubChem CID 82693638) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethanamine.

Molecular Properties

Compound Name2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethanamine
PubChem CID82693638
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethanamine
SMILESCC(C)(C)CCN1CCC(OCCN)CC1
InChIInChI=1S/C13H28N2O/c1-13(2,3)6-10-15-8-4-12(5-9-15)16-11-7-14/h12H,4-11,14H2,1-3H3
InChIKeyFKUUCAOZLRXHPP-UHFFFAOYSA-N
XLogP1.86
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 ≤ 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-(3,3-dimethylbutyl)piperidin-4-yl]oxyethanamine?
The IUPAC name of 2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethanamine (CID 82693638) is 2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethanamine.
What is the SMILES notation for 2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethanamine?
The canonical SMILES for 2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethanamine is CC(C)(C)CCN1CCC(OCCN)CC1.
What is the InChIKey of 2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethanamine?
The InChIKey is FKUUCAOZLRXHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(2,3)6-10-15-8-4-12(5-9-15)16-11-7-14/h12H,4-11,14H2,1-3H3.
What are the key properties of 2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethanamine?
2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethanamine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethanamine is sourced from PubChem (CID 82693638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).