2-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]ethanamine

C11H24N2O — CID 79478924

IUPAC2-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]ethanamine
SMILESCC1CC(C)CN(CCOCCN)C1
InChIInChI=1S/C11H24N2O/c1-10-7-11(2)9-13(8-10)4-6-14-5-3-12/h10-11H,3-9,12H2,1-2H3
InChIKeyQNOJPOGHVPDAFA-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.94
Rot. Bonds5

About 2-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]ethanamine

2-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]ethanamine (PubChem CID 79478924) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]ethanamine
PubChem CID79478924
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]ethanamine
SMILESCC1CC(C)CN(CCOCCN)C1
InChIInChI=1S/C11H24N2O/c1-10-7-11(2)9-13(8-10)4-6-14-5-3-12/h10-11H,3-9,12H2,1-2H3
InChIKeyQNOJPOGHVPDAFA-UHFFFAOYSA-N
XLogP0.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]ethanamine (CID 79478924) is 2-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]ethanamine is CC1CC(C)CN(CCOCCN)C1.
What is the InChIKey of 2-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]ethanamine?
The InChIKey is QNOJPOGHVPDAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-10-7-11(2)9-13(8-10)4-6-14-5-3-12/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 2-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]ethanamine?
2-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]ethanamine has a molecular weight of 200.33 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]ethanamine is sourced from PubChem (CID 79478924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).