ethane;N-ethyl-N'-(4-methoxybutyl)-N,N'-dimethylethane-1,2-diamine;methoxyethane

C16H40N2O2 — CID 177247615

IUPACethane;N-ethyl-N'-(4-methoxybutyl)-N,N'-dimethylethane-1,2-diamine;methoxyethane
SMILESCC.CCN(C)CCN(C)CCCCOC.CCOC
InChIInChI=1S/C11H26N2O.C3H8O.C2H6/c1-5-12(2)9-10-13(3)8-6-7-11-14-4;1-3-4-2;1-2/h5-11H2,1-4H3;3H2,1-2H3;1-2H3
InChIKeyRJKKCURLBOYTAI-UHFFFAOYSA-N
MW292.51 g/mol
LogP2.98
Rot. Bonds10

About ethane;N-ethyl-N'-(4-methoxybutyl)-N,N'-dimethylethane-1,2-diamine;methoxyethane

ethane;N-ethyl-N'-(4-methoxybutyl)-N,N'-dimethylethane-1,2-diamine;methoxyethane (PubChem CID 177247615) has the molecular formula C16H40N2O2 and a molecular weight of 292.51 g/mol. Its IUPAC name is ethane;N-ethyl-N'-(4-methoxybutyl)-N,N'-dimethylethane-1,2-diamine;methoxyethane.

Molecular Properties

Compound Nameethane;N-ethyl-N'-(4-methoxybutyl)-N,N'-dimethylethane-1,2-diamine;methoxyethane
PubChem CID177247615
Molecular FormulaC16H40N2O2
Molecular Weight292.51 g/mol
Exact Mass292.31
IUPAC Nameethane;N-ethyl-N'-(4-methoxybutyl)-N,N'-dimethylethane-1,2-diamine;methoxyethane
SMILESCC.CCN(C)CCN(C)CCCCOC.CCOC
InChIInChI=1S/C11H26N2O.C3H8O.C2H6/c1-5-12(2)9-10-13(3)8-6-7-11-14-4;1-3-4-2;1-2/h5-11H2,1-4H3;3H2,1-2H3;1-2H3
InChIKeyRJKKCURLBOYTAI-UHFFFAOYSA-N
XLogP2.98
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 52.98
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-ethyl-N'-(2-methoxyethyl)-N,N'-dimethylethane-1,2-diamine
CID 143417410
4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine
CID 143607553
N-(3-methoxypropyl)-N-methylpentan-1-amine
CID 143723134
2-[4-methoxybutyl(methyl)amino]ethanol
CID 115634030
N'-ethyl-N-(4-methoxybutyl)-N'-methylethane-1,2-diamine
CID 104647419
N,N'-diethyl-N,N'-dimethylbutane-1,4-diamine;N-ethyl-N,N'-dimethyl-N'-pentylbutane-1,4-diamine;hexane
CID 160540999
ethane;N-ethyl-N-methylpentan-1-amine
CID 142145247
N'-(4-methoxybutyl)-N,N'-dimethylmethanediamine
CID 143448630
ethane;N-[2-(3-methoxypropoxy)ethyl]-N-methylbutan-1-amine
CID 166148269
1-[2-[ethyl(methyl)amino]ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine
CID 111652348
N,N-diethyl-3-methoxypropan-1-amine;ethane
CID 142226095
N'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine
CID 63008855

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N'-(4-methoxybutyl)-N,N'-dimethylethane-1,2-diamine;methoxyethane?
The IUPAC name of ethane;N-ethyl-N'-(4-methoxybutyl)-N,N'-dimethylethane-1,2-diamine;methoxyethane (CID 177247615) is ethane;N-ethyl-N'-(4-methoxybutyl)-N,N'-dimethylethane-1,2-diamine;methoxyethane.
What is the SMILES notation for ethane;N-ethyl-N'-(4-methoxybutyl)-N,N'-dimethylethane-1,2-diamine;methoxyethane?
The canonical SMILES for ethane;N-ethyl-N'-(4-methoxybutyl)-N,N'-dimethylethane-1,2-diamine;methoxyethane is CC.CCN(C)CCN(C)CCCCOC.CCOC.
What is the InChIKey of ethane;N-ethyl-N'-(4-methoxybutyl)-N,N'-dimethylethane-1,2-diamine;methoxyethane?
The InChIKey is RJKKCURLBOYTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O.C3H8O.C2H6/c1-5-12(2)9-10-13(3)8-6-7-11-14-4;1-3-4-2;1-2/h5-11H2,1-4H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;N-ethyl-N'-(4-methoxybutyl)-N,N'-dimethylethane-1,2-diamine;methoxyethane?
ethane;N-ethyl-N'-(4-methoxybutyl)-N,N'-dimethylethane-1,2-diamine;methoxyethane has a molecular weight of 292.51 g/mol, XLogP of 2.98, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N'-(4-methoxybutyl)-N,N'-dimethylethane-1,2-diamine;methoxyethane is sourced from PubChem (CID 177247615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).