N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]ethanamine

C14H29NO2 — CID 55036816

IUPACN-[[1-(2-butoxyethoxy)cyclopentyl]methyl]ethanamine
SMILESCCCCOCCOC1(CNCC)CCCC1
InChIInChI=1S/C14H29NO2/c1-3-5-10-16-11-12-17-14(13-15-4-2)8-6-7-9-14/h15H,3-13H2,1-2H3
InChIKeyLCHHUNZUFVCYSL-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.74
Rot. Bonds10

About N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]ethanamine

N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]ethanamine (PubChem CID 55036816) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-butoxyethoxy)cyclopentyl]methyl]ethanamine
PubChem CID55036816
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-[[1-(2-butoxyethoxy)cyclopentyl]methyl]ethanamine
SMILESCCCCOCCOC1(CNCC)CCCC1
InChIInChI=1S/C14H29NO2/c1-3-5-10-16-11-12-17-14(13-15-4-2)8-6-7-9-14/h15H,3-13H2,1-2H3
InChIKeyLCHHUNZUFVCYSL-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.74
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-[[1-(2-butoxyethoxy)cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]ethanamine (CID 55036816) is N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]ethanamine is CCCCOCCOC1(CNCC)CCCC1.
What is the InChIKey of N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]ethanamine?
The InChIKey is LCHHUNZUFVCYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-5-10-16-11-12-17-14(13-15-4-2)8-6-7-9-14/h15H,3-13H2,1-2H3.
What are the key properties of N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]ethanamine?
N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]ethanamine has a molecular weight of 243.39 g/mol, XLogP of 2.74, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 55036816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).