4-ethoxy-N,N-diethyl-3-methylbutan-1-amine

C11H25NO — CID 10773944

IUPAC4-ethoxy-N,N-diethyl-3-methylbutan-1-amine
SMILESCCOCC(C)CCN(CC)CC
InChIInChI=1S/C11H25NO/c1-5-12(6-2)9-8-11(4)10-13-7-3/h11H,5-10H2,1-4H3
InChIKeyCUMGNYBPHCTSPX-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.39
Rot. Bonds8

About 4-ethoxy-N,N-diethyl-3-methylbutan-1-amine

4-ethoxy-N,N-diethyl-3-methylbutan-1-amine (PubChem CID 10773944) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 4-ethoxy-N,N-diethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N,N-diethyl-3-methylbutan-1-amine
PubChem CID10773944
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name4-ethoxy-N,N-diethyl-3-methylbutan-1-amine
SMILESCCOCC(C)CCN(CC)CC
InChIInChI=1S/C11H25NO/c1-5-12(6-2)9-8-11(4)10-13-7-3/h11H,5-10H2,1-4H3
InChIKeyCUMGNYBPHCTSPX-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-diethoxy-2-methylbutane
CID 59899860
3-ethoxy-2-methylpropan-1-amine
CID 43175050
3-chloro-N,N-diethyl-3-(2-methylpropoxy)propan-1-amine
CID 88634228
N-ethyl-3-methyl-N-propylpentan-1-amine
CID 126690332
6-(diethylamino)-4-methylhexanoic acid
CID 79695206
3,3-diethoxy-N-(2-ethoxyethyl)-N-ethylpropan-1-amine
CID 63698274
1-[2-(diethylamino)ethoxy]propan-2-ol
CID 15233137
1-[2-(2-ethoxyethoxy)ethoxy]-2-methylhexane
CID 59128190
4-ethoxy-1-methoxy-2-methylbutane
CID 102175642
N',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine
CID 62565030
4-[4-[2-ethoxyethyl(ethyl)amino]butan-2-yl]aniline
CID 104501682
(2R)-3-ethoxy-1-N,1-N-diethyl-2-N-methylpropane-1,2-diamine
CID 92764361

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N,N-diethyl-3-methylbutan-1-amine?
The IUPAC name of 4-ethoxy-N,N-diethyl-3-methylbutan-1-amine (CID 10773944) is 4-ethoxy-N,N-diethyl-3-methylbutan-1-amine.
What is the SMILES notation for 4-ethoxy-N,N-diethyl-3-methylbutan-1-amine?
The canonical SMILES for 4-ethoxy-N,N-diethyl-3-methylbutan-1-amine is CCOCC(C)CCN(CC)CC.
What is the InChIKey of 4-ethoxy-N,N-diethyl-3-methylbutan-1-amine?
The InChIKey is CUMGNYBPHCTSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-12(6-2)9-8-11(4)10-13-7-3/h11H,5-10H2,1-4H3.
What are the key properties of 4-ethoxy-N,N-diethyl-3-methylbutan-1-amine?
4-ethoxy-N,N-diethyl-3-methylbutan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N,N-diethyl-3-methylbutan-1-amine is sourced from PubChem (CID 10773944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).