2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine

C13H27NO2 — CID 62723578

IUPAC2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
SMILESCOCCNCC1(CCOC)CCCCC1
InChIInChI=1S/C13H27NO2/c1-15-10-8-13(6-4-3-5-7-13)12-14-9-11-16-2/h14H,3-12H2,1-2H3
InChIKeyTVGQLBPJUIPXGX-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.21
Rot. Bonds8

About 2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine

2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine (PubChem CID 62723578) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
PubChem CID62723578
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
SMILESCOCCNCC1(CCOC)CCCCC1
InChIInChI=1S/C13H27NO2/c1-15-10-8-13(6-4-3-5-7-13)12-14-9-11-16-2/h14H,3-12H2,1-2H3
InChIKeyTVGQLBPJUIPXGX-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.21
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-[[1-(2-ethoxyethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 62723982
2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine
CID 104566535
2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine
CID 104566649
N-[[1-(2-ethylsulfanylethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 113474207
N-[(1-butylcyclobutyl)methyl]-2-methoxyethanamine
CID 65196075
N-[[1-(3-ethylsulfonylpropyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 65097074
2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclohexyl]methyl]ethanamine
CID 63195650
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 115449017
2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutyl]methyl]ethanamine
CID 65196621
2-(2-methoxyethylamino)-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]acetamide
CID 119812143
N-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine
CID 66026488
1-[1-(2-methoxyethyl)cyclobutyl]-N-methylmethanamine
CID 65194306

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine (CID 62723578) is 2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine is COCCNCC1(CCOC)CCCCC1.
What is the InChIKey of 2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine?
The InChIKey is TVGQLBPJUIPXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-15-10-8-13(6-4-3-5-7-13)12-14-9-11-16-2/h14H,3-12H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine?
2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine has a molecular weight of 229.36 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 62723578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).