N-[2-[3-(2-methoxyethoxy)propoxy]ethyl]-N-methylbutan-1-amine

C13H29NO3 — CID 156867947

IUPACN-[2-[3-(2-methoxyethoxy)propoxy]ethyl]-N-methylbutan-1-amine
SMILESCCCCN(C)CCOCCCOCCOC
InChIInChI=1S/C13H29NO3/c1-4-5-7-14(2)8-11-16-9-6-10-17-13-12-15-3/h4-13H2,1-3H3
InChIKeyTUXSOJRCAKQTAD-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.79
Rot. Bonds13

About N-[2-[3-(2-methoxyethoxy)propoxy]ethyl]-N-methylbutan-1-amine

N-[2-[3-(2-methoxyethoxy)propoxy]ethyl]-N-methylbutan-1-amine (PubChem CID 156867947) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[2-[3-(2-methoxyethoxy)propoxy]ethyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[2-[3-(2-methoxyethoxy)propoxy]ethyl]-N-methylbutan-1-amine
PubChem CID156867947
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC NameN-[2-[3-(2-methoxyethoxy)propoxy]ethyl]-N-methylbutan-1-amine
SMILESCCCCN(C)CCOCCCOCCOC
InChIInChI=1S/C13H29NO3/c1-4-5-7-14(2)8-11-16-9-6-10-17-13-12-15-3/h4-13H2,1-3H3
InChIKeyTUXSOJRCAKQTAD-UHFFFAOYSA-N
XLogP1.79
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.79
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

ethane;N-[2-(3-methoxypropoxy)ethyl]-N-methylbutan-1-amine
CID 166148269
formaldehyde;N-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyloctadecan-1-amine
CID 161166009
N-[2-(2-chloroethoxy)ethyl]-N-methylbutan-1-amine
CID 63666271
N,N'-dimethyl-N-pentyl-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,2-diamine
CID 167513119
N'-(2-butoxyethyl)-N'-methylpropane-1,3-diamine
CID 61483382
N'-[2-(3-methoxypropoxy)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 103181624
N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-methylethane-1,2-diamine
CID 104561076
N-[2-[2-[2-[di(undecyl)amino]ethoxy]ethoxy]ethyl]-N-methylundecan-1-amine
CID 171750134
N-(3-methoxypropyl)-N-methylpentan-1-amine
CID 143723134
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecane
CID 102000806
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]heptane
CID 44593867
1-[2-(2-butoxyethoxy)ethoxy]butane;1-[2-(2-methoxyethoxy)ethoxy]pentane
CID 157339506

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-methoxyethoxy)propoxy]ethyl]-N-methylbutan-1-amine?
The IUPAC name of N-[2-[3-(2-methoxyethoxy)propoxy]ethyl]-N-methylbutan-1-amine (CID 156867947) is N-[2-[3-(2-methoxyethoxy)propoxy]ethyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[2-[3-(2-methoxyethoxy)propoxy]ethyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[2-[3-(2-methoxyethoxy)propoxy]ethyl]-N-methylbutan-1-amine is CCCCN(C)CCOCCCOCCOC.
What is the InChIKey of N-[2-[3-(2-methoxyethoxy)propoxy]ethyl]-N-methylbutan-1-amine?
The InChIKey is TUXSOJRCAKQTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-4-5-7-14(2)8-11-16-9-6-10-17-13-12-15-3/h4-13H2,1-3H3.
What are the key properties of N-[2-[3-(2-methoxyethoxy)propoxy]ethyl]-N-methylbutan-1-amine?
N-[2-[3-(2-methoxyethoxy)propoxy]ethyl]-N-methylbutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 1.79, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-methoxyethoxy)propoxy]ethyl]-N-methylbutan-1-amine is sourced from PubChem (CID 156867947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).