N-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-propoxyethanamine

C17H34N2O — CID 79569195

IUPACN-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-propoxyethanamine
SMILESCCCOCC(NCC)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C17H34N2O/c1-3-14-20-15-16(18-4-2)17(10-6-7-11-17)19-12-8-5-9-13-19/h16,18H,3-15H2,1-2H3
InChIKeyCHUXLABODWIBLH-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.19
Rot. Bonds8

About N-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-propoxyethanamine

N-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-propoxyethanamine (PubChem CID 79569195) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-propoxyethanamine.

Molecular Properties

Compound NameN-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-propoxyethanamine
PubChem CID79569195
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-propoxyethanamine
SMILESCCCOCC(NCC)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C17H34N2O/c1-3-14-20-15-16(18-4-2)17(10-6-7-11-17)19-12-8-5-9-13-19/h16,18H,3-15H2,1-2H3
InChIKeyCHUXLABODWIBLH-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.19
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-propoxyethanamine?
The IUPAC name of N-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-propoxyethanamine (CID 79569195) is N-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-propoxyethanamine.
What is the SMILES notation for N-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-propoxyethanamine?
The canonical SMILES for N-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-propoxyethanamine is CCCOCC(NCC)C1(N2CCCCC2)CCCC1.
What is the InChIKey of N-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-propoxyethanamine?
The InChIKey is CHUXLABODWIBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-14-20-15-16(18-4-2)17(10-6-7-11-17)19-12-8-5-9-13-19/h16,18H,3-15H2,1-2H3.
What are the key properties of N-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-propoxyethanamine?
N-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-propoxyethanamine has a molecular weight of 282.47 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-propoxyethanamine is sourced from PubChem (CID 79569195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).