2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]ethanamine

C13H28N2O — CID 106455021

IUPAC2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]ethanamine
SMILESCC(C)COCCN1CCCCC1CCN
InChIInChI=1S/C13H28N2O/c1-12(2)11-16-10-9-15-8-4-3-5-13(15)6-7-14/h12-13H,3-11,14H2,1-2H3
InChIKeyZDKLBYJSAPFWSX-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds7

About 2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]ethanamine

2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]ethanamine (PubChem CID 106455021) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]ethanamine
PubChem CID106455021
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]ethanamine
SMILESCC(C)COCCN1CCCCC1CCN
InChIInChI=1S/C13H28N2O/c1-12(2)11-16-10-9-15-8-4-3-5-13(15)6-7-14/h12-13H,3-11,14H2,1-2H3
InChIKeyZDKLBYJSAPFWSX-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]methanol
CID 100627976
2-(bromomethyl)-1-[2-(2-methylpropoxy)ethyl]pyrrolidine
CID 106457738
2-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-yl]acetic acid
CID 106454643
2-[1-(2-fluoroethyl)piperidin-2-yl]ethanamine
CID 80695108
2-(1-hexylpiperidin-2-yl)ethanamine
CID 63759699
[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanol
CID 61355562
2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]cyclohexan-1-ol
CID 106460190
2-[1-[2-(diethylamino)ethyl]piperidin-2-yl]ethanamine
CID 63760471
2-[1-(3,3-difluorobutyl)piperidin-2-yl]ethanamine
CID 84685954
1-[2-(2-aminoethyl)piperidin-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992593
2-[1-(3,3-difluorobutyl)azepan-2-yl]ethanamine
CID 84697916
1-[2-(2-chloroethoxy)ethyl]-2-propylpiperidine
CID 83061887

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]ethanamine?
The IUPAC name of 2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]ethanamine (CID 106455021) is 2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]ethanamine is CC(C)COCCN1CCCCC1CCN.
What is the InChIKey of 2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]ethanamine?
The InChIKey is ZDKLBYJSAPFWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-12(2)11-16-10-9-15-8-4-3-5-13(15)6-7-14/h12-13H,3-11,14H2,1-2H3.
What are the key properties of 2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]ethanamine?
2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]ethanamine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 106455021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).