N-ethyl-2-[1-[2-(3-methoxypropoxy)ethoxy]cyclobutyl]ethanamine

C14H29NO3 — CID 103274564

IUPACN-ethyl-2-[1-[2-(3-methoxypropoxy)ethoxy]cyclobutyl]ethanamine
SMILESCCNCCC1(OCCOCCCOC)CCC1
InChIInChI=1S/C14H29NO3/c1-3-15-9-8-14(6-4-7-14)18-13-12-17-11-5-10-16-2/h15H,3-13H2,1-2H3
InChIKeyXAXOZQZYJLOAEN-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.98
Rot. Bonds12

About N-ethyl-2-[1-[2-(3-methoxypropoxy)ethoxy]cyclobutyl]ethanamine

N-ethyl-2-[1-[2-(3-methoxypropoxy)ethoxy]cyclobutyl]ethanamine (PubChem CID 103274564) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is N-ethyl-2-[1-[2-(3-methoxypropoxy)ethoxy]cyclobutyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[1-[2-(3-methoxypropoxy)ethoxy]cyclobutyl]ethanamine
PubChem CID103274564
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC NameN-ethyl-2-[1-[2-(3-methoxypropoxy)ethoxy]cyclobutyl]ethanamine
SMILESCCNCCC1(OCCOCCCOC)CCC1
InChIInChI=1S/C14H29NO3/c1-3-15-9-8-14(6-4-7-14)18-13-12-17-11-5-10-16-2/h15H,3-13H2,1-2H3
InChIKeyXAXOZQZYJLOAEN-UHFFFAOYSA-N
XLogP1.98
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-ethoxyethoxy)cyclobutyl]-N-ethylethanamine
CID 103273067
N-[2-[1-[3-(2-methoxyethoxy)propoxy]cyclobutyl]ethyl]-2-methylpropan-2-amine
CID 103406608
2-(1-butoxycyclobutyl)-N-ethylethanamine
CID 103273334
N-ethyl-3-(3-methoxypropoxy)propan-1-amine
CID 62442625
N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methyl]ethanamine
CID 104565648
N-[[4-ethyl-1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]ethanamine
CID 103180350
N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclopentyl]methyl]cyclopropanamine
CID 103180337
N-[[1-[2-(3-methoxypropoxy)ethoxy]-3-methylcyclohexyl]methyl]propan-1-amine
CID 103180376
N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine
CID 103180407
N-[[1-[2-(2-methoxyethoxy)ethoxy]-3-methylcyclohexyl]methyl]ethanamine
CID 104565665
1-(iodomethyl)-1-[2-(2-methoxyethoxy)ethoxy]cyclohexane
CID 114775131
1-[1-[2-(3-methoxypropoxy)ethoxy]-4-methylcyclohexyl]-N-methylmethanamine
CID 103180422

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-[2-(3-methoxypropoxy)ethoxy]cyclobutyl]ethanamine?
The IUPAC name of N-ethyl-2-[1-[2-(3-methoxypropoxy)ethoxy]cyclobutyl]ethanamine (CID 103274564) is N-ethyl-2-[1-[2-(3-methoxypropoxy)ethoxy]cyclobutyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[1-[2-(3-methoxypropoxy)ethoxy]cyclobutyl]ethanamine?
The canonical SMILES for N-ethyl-2-[1-[2-(3-methoxypropoxy)ethoxy]cyclobutyl]ethanamine is CCNCCC1(OCCOCCCOC)CCC1.
What is the InChIKey of N-ethyl-2-[1-[2-(3-methoxypropoxy)ethoxy]cyclobutyl]ethanamine?
The InChIKey is XAXOZQZYJLOAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-3-15-9-8-14(6-4-7-14)18-13-12-17-11-5-10-16-2/h15H,3-13H2,1-2H3.
What are the key properties of N-ethyl-2-[1-[2-(3-methoxypropoxy)ethoxy]cyclobutyl]ethanamine?
N-ethyl-2-[1-[2-(3-methoxypropoxy)ethoxy]cyclobutyl]ethanamine has a molecular weight of 259.39 g/mol, XLogP of 1.98, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-[2-(3-methoxypropoxy)ethoxy]cyclobutyl]ethanamine is sourced from PubChem (CID 103274564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).