2-ethoxy-N-[(4-methyloxan-4-yl)methyl]ethanamine

C11H23NO2 — CID 104586664

IUPAC2-ethoxy-N-[(4-methyloxan-4-yl)methyl]ethanamine
SMILESCCOCCNCC1(C)CCOCC1
InChIInChI=1S/C11H23NO2/c1-3-13-9-6-12-10-11(2)4-7-14-8-5-11/h12H,3-10H2,1-2H3
InChIKeyKTNWLOWHDJUMBZ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.43
Rot. Bonds6

About 2-ethoxy-N-[(4-methyloxan-4-yl)methyl]ethanamine

2-ethoxy-N-[(4-methyloxan-4-yl)methyl]ethanamine (PubChem CID 104586664) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-ethoxy-N-[(4-methyloxan-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-[(4-methyloxan-4-yl)methyl]ethanamine
PubChem CID104586664
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-ethoxy-N-[(4-methyloxan-4-yl)methyl]ethanamine
SMILESCCOCCNCC1(C)CCOCC1
InChIInChI=1S/C11H23NO2/c1-3-13-9-6-12-10-11(2)4-7-14-8-5-11/h12H,3-10H2,1-2H3
InChIKeyKTNWLOWHDJUMBZ-UHFFFAOYSA-N
XLogP1.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.43
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

[(4-Methoxyoxan-4-yl)methyl](methyl)amine
CID 58914620
3,8-Dioxa-11-azaspiro(5.6)dodecane
CID 75480716
2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55111205
2,2-diethyl-N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62724860
2-methoxy-N-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]ethanamine
CID 62906116
2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]ethanamine
CID 66024055
N-[(4-methyloxan-4-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 103270605
N-[(4-methyloxan-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 104585892
3-fluoro-N-[(4-methyloxan-4-yl)methyl]propan-1-amine
CID 104586522
2-fluoro-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 105893081
2-methoxy-N-[[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methyl]ethanamine
CID 106706057
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 114112890

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(4-methyloxan-4-yl)methyl]ethanamine?
The IUPAC name of 2-ethoxy-N-[(4-methyloxan-4-yl)methyl]ethanamine (CID 104586664) is 2-ethoxy-N-[(4-methyloxan-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-[(4-methyloxan-4-yl)methyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-[(4-methyloxan-4-yl)methyl]ethanamine is CCOCCNCC1(C)CCOCC1.
What is the InChIKey of 2-ethoxy-N-[(4-methyloxan-4-yl)methyl]ethanamine?
The InChIKey is KTNWLOWHDJUMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-13-9-6-12-10-11(2)4-7-14-8-5-11/h12H,3-10H2,1-2H3.
What are the key properties of 2-ethoxy-N-[(4-methyloxan-4-yl)methyl]ethanamine?
2-ethoxy-N-[(4-methyloxan-4-yl)methyl]ethanamine has a molecular weight of 201.31 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(4-methyloxan-4-yl)methyl]ethanamine is sourced from PubChem (CID 104586664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).