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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-methylpiperidin-1-yl)ethoxy]ethanamine
CID 39237896
1-(2-butoxyethyl)-5-methylpiperidin-3-amine
CID 79992804
1-[2-(2-aminoethoxy)ethyl]piperidin-4-amine;ethane
CID 156883236
(3S,5S)-1-[3-[3-(4-chlorophenyl)propoxy]propyl]-3,5-dimethylpiperidine
CID 66702546
(3R,5S)-1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
CID 2300152
2-(3,5-dimethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate
CID 139415965
1-[2-(2-aminoethoxy)ethyl]-N,N-dimethylpiperidin-4-amine
CID 79478502
(5R)-3,5-dimethyl-1-[3-(3-phenylpropoxy)propyl]piperidine
CID 58747936
1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
CID 2934238
2-(3,5-dimethylpiperidin-1-yl)ethanol
CID 43394133
1-(3-methoxypropyl)-5-methylpiperidin-3-amine
CID 79993292
3-(3,5-dimethylpiperidin-1-yl)propane-1-sulfonamide
CID 115608707

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).