ethane;N-[2-(3-methoxypropoxy)ethyl]-N-methylbutan-1-amine

C13H31NO2 — CID 166148269

IUPACethane;N-[2-(3-methoxypropoxy)ethyl]-N-methylbutan-1-amine
SMILESCC.CCCCN(C)CCOCCCOC
InChIInChI=1S/C11H25NO2.C2H6/c1-4-5-7-12(2)8-11-14-10-6-9-13-3;1-2/h4-11H2,1-3H3;1-2H3
InChIKeyUKHORSCKCUCVDE-UHFFFAOYSA-N
MW233.40 g/mol
LogP2.80
Rot. Bonds10

About ethane;N-[2-(3-methoxypropoxy)ethyl]-N-methylbutan-1-amine

ethane;N-[2-(3-methoxypropoxy)ethyl]-N-methylbutan-1-amine (PubChem CID 166148269) has the molecular formula C13H31NO2 and a molecular weight of 233.40 g/mol. Its IUPAC name is ethane;N-[2-(3-methoxypropoxy)ethyl]-N-methylbutan-1-amine.

Molecular Properties

Compound Nameethane;N-[2-(3-methoxypropoxy)ethyl]-N-methylbutan-1-amine
PubChem CID166148269
Molecular FormulaC13H31NO2
Molecular Weight233.40 g/mol
Exact Mass233.24
IUPAC Nameethane;N-[2-(3-methoxypropoxy)ethyl]-N-methylbutan-1-amine
SMILESCC.CCCCN(C)CCOCCCOC
InChIInChI=1S/C11H25NO2.C2H6/c1-4-5-7-12(2)8-11-14-10-6-9-13-3;1-2/h4-11H2,1-3H3;1-2H3
InChIKeyUKHORSCKCUCVDE-UHFFFAOYSA-N
XLogP2.80
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-(2-methoxyethoxy)propoxy]ethyl]-N-methylbutan-1-amine
CID 156867947
N'-[2-(3-methoxypropoxy)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 103181624
N-(3-methoxypropyl)-N-methylpentan-1-amine
CID 143723134
1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane
CID 174886787
N-[2-(2-chloroethoxy)ethyl]-N-methylbutan-1-amine
CID 63666271
N'-(2-butoxyethyl)-N'-methylpropane-1,3-diamine
CID 61483382
N-[2-[2-[2-[di(undecyl)amino]ethoxy]ethoxy]ethyl]-N-methylundecan-1-amine
CID 171750134
1-N-[2-(3-methoxypropoxy)ethyl]-1-N-methylbutane-1,3-diamine
CID 103184111
formaldehyde;N-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyloctadecan-1-amine
CID 161166009
N,N'-dimethyl-N-pentyl-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,2-diamine
CID 167513119
4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine
CID 143607553
ethane;2-[2-[methyl(octyl)amino]ethoxy]ethanol
CID 156751317

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-(3-methoxypropoxy)ethyl]-N-methylbutan-1-amine?
The IUPAC name of ethane;N-[2-(3-methoxypropoxy)ethyl]-N-methylbutan-1-amine (CID 166148269) is ethane;N-[2-(3-methoxypropoxy)ethyl]-N-methylbutan-1-amine.
What is the SMILES notation for ethane;N-[2-(3-methoxypropoxy)ethyl]-N-methylbutan-1-amine?
The canonical SMILES for ethane;N-[2-(3-methoxypropoxy)ethyl]-N-methylbutan-1-amine is CC.CCCCN(C)CCOCCCOC.
What is the InChIKey of ethane;N-[2-(3-methoxypropoxy)ethyl]-N-methylbutan-1-amine?
The InChIKey is UKHORSCKCUCVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2.C2H6/c1-4-5-7-12(2)8-11-14-10-6-9-13-3;1-2/h4-11H2,1-3H3;1-2H3.
What are the key properties of ethane;N-[2-(3-methoxypropoxy)ethyl]-N-methylbutan-1-amine?
ethane;N-[2-(3-methoxypropoxy)ethyl]-N-methylbutan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 2.80, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-(3-methoxypropoxy)ethyl]-N-methylbutan-1-amine is sourced from PubChem (CID 166148269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).