2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine

C13H28N2O — CID 104760185

IUPAC2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine
SMILESCC(C)OCCNCCC1CCCCN1C
InChIInChI=1S/C13H28N2O/c1-12(2)16-11-9-14-8-7-13-6-4-5-10-15(13)3/h12-14H,4-11H2,1-3H3
InChIKeyOQNCETNYFYMBAB-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds7

About 2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine

2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine (PubChem CID 104760185) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine.

Molecular Properties

Compound Name2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine
PubChem CID104760185
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine
SMILESCC(C)OCCNCCC1CCCCN1C
InChIInChI=1S/C13H28N2O/c1-12(2)16-11-9-14-8-7-13-6-4-5-10-15(13)3/h12-14H,4-11H2,1-3H3
InChIKeyOQNCETNYFYMBAB-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 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 ≤ 51.88
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

4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine
CID 62414508
N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781
2,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 64570931
7-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]octan-1-amine
CID 103604979
N'-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-N'-propan-2-ylbutane-1,4-diamine
CID 62414712
N-(2-but-3-enoxyethyl)-2-(1-methylpiperidin-2-yl)ethanamine
CID 106401471
2-chloro-3-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 107913930
3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine
CID 107913859
N-[2-(1-methylpiperidin-2-yl)ethyl]-2-piperidin-1-ylpropan-1-amine
CID 55067071
2-(1-methylpiperidin-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 55067022
4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 107914068
3-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine
CID 107913946

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine?
The IUPAC name of 2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine (CID 104760185) is 2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine.
What is the SMILES notation for 2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine?
The canonical SMILES for 2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine is CC(C)OCCNCCC1CCCCN1C.
What is the InChIKey of 2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine?
The InChIKey is OQNCETNYFYMBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-12(2)16-11-9-14-8-7-13-6-4-5-10-15(13)3/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine?
2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine is sourced from PubChem (CID 104760185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).