N-ethyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]ethanamine

C12H26N2O — CID 107912960

IUPACN-ethyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]ethanamine
SMILESCCNCCOCCC1CCCCN1C
InChIInChI=1S/C12H26N2O/c1-3-13-8-11-15-10-7-12-6-4-5-9-14(12)2/h12-13H,3-11H2,1-2H3
InChIKeyXPQWFQSPIPVPJD-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds7

About N-ethyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]ethanamine

N-ethyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]ethanamine (PubChem CID 107912960) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-ethyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]ethanamine
PubChem CID107912960
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-ethyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]ethanamine
SMILESCCNCCOCCC1CCCCN1C
InChIInChI=1S/C12H26N2O/c1-3-13-8-11-15-10-7-12-6-4-5-9-14(12)2/h12-13H,3-11H2,1-2H3
InChIKeyXPQWFQSPIPVPJD-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
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

N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781
N-methyl-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]propan-1-amine
CID 62459710
N-(2-but-3-enoxyethyl)-2-(1-methylpiperidin-2-yl)ethanamine
CID 106401471
2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104760185
2-(2-cyclopentyloxyethyl)-1-methylpiperidine
CID 23339262
2-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]propan-2-amine
CID 65467309
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 107911038
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
N-ethyl-4-[(1-methylpiperidin-2-yl)methoxy]pentan-1-amine
CID 65467693
2-(1-methylpiperidin-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 55067022
N-[(1-ethylpiperidin-4-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62416081
N-methyl-3-(1-methylpiperidin-2-yl)propan-1-amine
CID 70383775

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]ethanamine?
The IUPAC name of N-ethyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]ethanamine (CID 107912960) is N-ethyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]ethanamine.
What is the SMILES notation for N-ethyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]ethanamine?
The canonical SMILES for N-ethyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]ethanamine is CCNCCOCCC1CCCCN1C.
What is the InChIKey of N-ethyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]ethanamine?
The InChIKey is XPQWFQSPIPVPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-13-8-11-15-10-7-12-6-4-5-9-14(12)2/h12-13H,3-11H2,1-2H3.
What are the key properties of N-ethyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]ethanamine?
N-ethyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]ethanamine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]ethanamine is sourced from PubChem (CID 107912960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).