2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine

C16H33NO4 — CID 104566535

IUPAC2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine
SMILESCOCCNCC1(CCOCCOCCOC)CCCC1
InChIInChI=1S/C16H33NO4/c1-18-10-8-17-15-16(5-3-4-6-16)7-9-20-13-14-21-12-11-19-2/h17H,3-15H2,1-2H3
InChIKeyUHDYBKWNSGWHHO-UHFFFAOYSA-N
MW303.44 g/mol
LogP1.85
Rot. Bonds14

About 2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine

2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine (PubChem CID 104566535) has the molecular formula C16H33NO4 and a molecular weight of 303.44 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine
PubChem CID104566535
Molecular FormulaC16H33NO4
Molecular Weight303.44 g/mol
Exact Mass303.24
IUPAC Name2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine
SMILESCOCCNCC1(CCOCCOCCOC)CCCC1
InChIInChI=1S/C16H33NO4/c1-18-10-8-17-15-16(5-3-4-6-16)7-9-20-13-14-21-12-11-19-2/h17H,3-15H2,1-2H3
InChIKeyUHDYBKWNSGWHHO-UHFFFAOYSA-N
XLogP1.85
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine
CID 104566649
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 62723982
2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
CID 62723578
2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutyl]methyl]ethanamine
CID 65196621
[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopentyl]methanol
CID 115359446
N-[(1-butylcyclobutyl)methyl]-2-methoxyethanamine
CID 65196075
2-[1-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]cyclopropyl]ethanol
CID 114756460
N-[[1-(2-butoxyethyl)cyclopentyl]methyl]propan-1-amine
CID 55106499
N-[[1-(2-ethylsulfanylethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 113474207
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 115449017
N-[[1-(3-ethylsulfonylpropyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 65097074
2-(2-methoxyethylamino)-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]acetamide
CID 119812143

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine (CID 104566535) is 2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine is COCCNCC1(CCOCCOCCOC)CCCC1.
What is the InChIKey of 2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine?
The InChIKey is UHDYBKWNSGWHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO4/c1-18-10-8-17-15-16(5-3-4-6-16)7-9-20-13-14-21-12-11-19-2/h17H,3-15H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine?
2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine has a molecular weight of 303.44 g/mol, XLogP of 1.85, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 104566535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).