1,3-diethoxy-2-(ethoxymethyl)-N-propan-2-ylpropan-2-amine

C13H29NO3 — CID 166780842

IUPAC1,3-diethoxy-2-(ethoxymethyl)-N-propan-2-ylpropan-2-amine
SMILESCCOCC(COCC)(COCC)NC(C)C
InChIInChI=1S/C13H29NO3/c1-6-15-9-13(10-16-7-2,11-17-8-3)14-12(4)5/h12,14H,6-11H2,1-5H3
InChIKeyDVCAXYACFQUOFR-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.83
Rot. Bonds11

About 1,3-diethoxy-2-(ethoxymethyl)-N-propan-2-ylpropan-2-amine

1,3-diethoxy-2-(ethoxymethyl)-N-propan-2-ylpropan-2-amine (PubChem CID 166780842) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is 1,3-diethoxy-2-(ethoxymethyl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name1,3-diethoxy-2-(ethoxymethyl)-N-propan-2-ylpropan-2-amine
PubChem CID166780842
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Name1,3-diethoxy-2-(ethoxymethyl)-N-propan-2-ylpropan-2-amine
SMILESCCOCC(COCC)(COCC)NC(C)C
InChIInChI=1S/C13H29NO3/c1-6-15-9-13(10-16-7-2,11-17-8-3)14-12(4)5/h12,14H,6-11H2,1-5H3
InChIKeyDVCAXYACFQUOFR-UHFFFAOYSA-N
XLogP1.83
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethoxymethyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 103984597
5-ethoxy-2,3,3-trimethyl-N-propan-2-ylpentan-2-amine
CID 176679059
3-[2-[[3-oxo-3-(propylamino)propoxy]methyl]-2-(propan-2-ylamino)-3-propoxypropoxy]-N-propylpropanamide
CID 178049904
3-ethyl-6-methyl-N,5-di(propan-2-yl)heptan-3-amine
CID 146474231
3-[3-[3-(butylamino)-3-oxopropoxy]-2-[[3-(butylamino)-3-oxopropoxy]methyl]-2-(propan-2-ylamino)propoxy]-N-propylpropanamide
CID 178061950
2-(ethoxymethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102641012
4,4-bis(ethoxymethyl)-2-methylhexane
CID 89107052
5-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 79570397
ethane;1-ethoxy-2,2-dimethylpropane
CID 155734553
3-(2-ethoxyethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79619564
2-chloro-1-ethoxy-2-(ethoxymethyl)-5-methylhexane
CID 19985407
ethoxyethane
CID 18694919

Frequently Asked Questions

What is the IUPAC name of 1,3-diethoxy-2-(ethoxymethyl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of 1,3-diethoxy-2-(ethoxymethyl)-N-propan-2-ylpropan-2-amine (CID 166780842) is 1,3-diethoxy-2-(ethoxymethyl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 1,3-diethoxy-2-(ethoxymethyl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for 1,3-diethoxy-2-(ethoxymethyl)-N-propan-2-ylpropan-2-amine is CCOCC(COCC)(COCC)NC(C)C.
What is the InChIKey of 1,3-diethoxy-2-(ethoxymethyl)-N-propan-2-ylpropan-2-amine?
The InChIKey is DVCAXYACFQUOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-6-15-9-13(10-16-7-2,11-17-8-3)14-12(4)5/h12,14H,6-11H2,1-5H3.
What are the key properties of 1,3-diethoxy-2-(ethoxymethyl)-N-propan-2-ylpropan-2-amine?
1,3-diethoxy-2-(ethoxymethyl)-N-propan-2-ylpropan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 1.83, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethoxy-2-(ethoxymethyl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 166780842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).