2-methoxy-N-methyl-N-[2-[2-(3-methylpentoxy)ethoxy]ethyl]ethanamine

C14H31NO3 — CID 143398421

IUPAC2-methoxy-N-methyl-N-[2-[2-(3-methylpentoxy)ethoxy]ethyl]ethanamine
SMILESCCC(C)CCOCCOCCN(C)CCOC
InChIInChI=1S/C14H31NO3/c1-5-14(2)6-9-17-12-13-18-11-8-15(3)7-10-16-4/h14H,5-13H2,1-4H3
InChIKeyVTUJBRUOOPIZIQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.03
Rot. Bonds13

About 2-methoxy-N-methyl-N-[2-[2-(3-methylpentoxy)ethoxy]ethyl]ethanamine

2-methoxy-N-methyl-N-[2-[2-(3-methylpentoxy)ethoxy]ethyl]ethanamine (PubChem CID 143398421) has the molecular formula C14H31NO3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[2-[2-(3-methylpentoxy)ethoxy]ethyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[2-[2-(3-methylpentoxy)ethoxy]ethyl]ethanamine
PubChem CID143398421
Molecular FormulaC14H31NO3
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC Name2-methoxy-N-methyl-N-[2-[2-(3-methylpentoxy)ethoxy]ethyl]ethanamine
SMILESCCC(C)CCOCCOCCN(C)CCOC
InChIInChI=1S/C14H31NO3/c1-5-14(2)6-9-17-12-13-18-11-8-15(3)7-10-16-4/h14H,5-13H2,1-4H3
InChIKeyVTUJBRUOOPIZIQ-UHFFFAOYSA-N
XLogP2.03
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-methyl-2-[2-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 176934271
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylpentane
CID 126547555
3-methyl-1-propoxypentane
CID 123388243
N,2-dimethyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]pentan-1-amine
CID 170062056
N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-methylethane-1,2-diamine
CID 104561076
N-[2-[3-(2-methoxyethoxy)propoxy]ethyl]-N-methylbutan-1-amine
CID 156867947
4-[methyl(2-propoxyethyl)amino]butan-2-ol
CID 106456260
1-N-[2-(3-methoxypropoxy)ethyl]-1-N-methylbutane-1,3-diamine
CID 103184111
(3R)-1-(2-fluoroethoxy)-3-methylpentane
CID 130394752
2-[2-[methyl(2-methylbutyl)amino]ethoxy]ethanol
CID 61070692
3-methyl-1-(3-methylpentoxymethoxymethoxy)pentane
CID 172857942
2-chloro-3-methoxy-N-methyl-N-(2-propoxyethyl)propan-1-amine
CID 106457635

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[2-[2-(3-methylpentoxy)ethoxy]ethyl]ethanamine?
The IUPAC name of 2-methoxy-N-methyl-N-[2-[2-(3-methylpentoxy)ethoxy]ethyl]ethanamine (CID 143398421) is 2-methoxy-N-methyl-N-[2-[2-(3-methylpentoxy)ethoxy]ethyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-methyl-N-[2-[2-(3-methylpentoxy)ethoxy]ethyl]ethanamine?
The canonical SMILES for 2-methoxy-N-methyl-N-[2-[2-(3-methylpentoxy)ethoxy]ethyl]ethanamine is CCC(C)CCOCCOCCN(C)CCOC.
What is the InChIKey of 2-methoxy-N-methyl-N-[2-[2-(3-methylpentoxy)ethoxy]ethyl]ethanamine?
The InChIKey is VTUJBRUOOPIZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3/c1-5-14(2)6-9-17-12-13-18-11-8-15(3)7-10-16-4/h14H,5-13H2,1-4H3.
What are the key properties of 2-methoxy-N-methyl-N-[2-[2-(3-methylpentoxy)ethoxy]ethyl]ethanamine?
2-methoxy-N-methyl-N-[2-[2-(3-methylpentoxy)ethoxy]ethyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 2.03, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[2-[2-(3-methylpentoxy)ethoxy]ethyl]ethanamine is sourced from PubChem (CID 143398421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).