N-ethyl-1-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanamine

C16H34N2O — CID 63854629

IUPACN-ethyl-1-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanamine
SMILESCCNC(C)C1CCCN(CCOCCC(C)C)C1
InChIInChI=1S/C16H34N2O/c1-5-17-15(4)16-7-6-9-18(13-16)10-12-19-11-8-14(2)3/h14-17H,5-13H2,1-4H3
InChIKeyOPFUNCPGRNRGCO-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.76
Rot. Bonds9

About N-ethyl-1-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanamine

N-ethyl-1-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanamine (PubChem CID 63854629) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-ethyl-1-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanamine
PubChem CID63854629
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-ethyl-1-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanamine
SMILESCCNC(C)C1CCCN(CCOCCC(C)C)C1
InChIInChI=1S/C16H34N2O/c1-5-17-15(4)16-7-6-9-18(13-16)10-12-19-11-8-14(2)3/h14-17H,5-13H2,1-4H3
InChIKeyOPFUNCPGRNRGCO-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.76
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-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine
CID 55257799
N-ethyl-1-(1-pentylpiperidin-3-yl)ethanamine
CID 63852706
1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-N-ethylethanamine
CID 63854459
N-ethyl-1-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethanamine
CID 64552883
3-chloro-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 63386728
N-ethyl-1-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine
CID 106448993
3-bromo-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 80680216
1-[1-(2,2-difluoroethyl)piperidin-3-yl]-N-ethylethanamine
CID 63855151
N-ethyl-1-[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]ethanamine
CID 65159249
5-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]hexan-1-amine
CID 115325204
1-[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]-N-ethylethanamine
CID 106721484
2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanol
CID 62358329

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanamine (CID 63854629) is N-ethyl-1-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanamine is CCNC(C)C1CCCN(CCOCCC(C)C)C1.
What is the InChIKey of N-ethyl-1-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanamine?
The InChIKey is OPFUNCPGRNRGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-17-15(4)16-7-6-9-18(13-16)10-12-19-11-8-14(2)3/h14-17H,5-13H2,1-4H3.
What are the key properties of N-ethyl-1-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanamine?
N-ethyl-1-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanamine has a molecular weight of 270.46 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 63854629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).