3-ethoxy-N,N-bis(3-ethoxy-3-methylbutyl)-3-methylbutan-1-amine

C21H45NO3 — CID 155135764

IUPAC3-ethoxy-N,N-bis(3-ethoxy-3-methylbutyl)-3-methylbutan-1-amine
SMILESCCOC(C)(C)CCN(CCC(C)(C)OCC)CCC(C)(C)OCC
InChIInChI=1S/C21H45NO3/c1-10-23-19(4,5)13-16-22(17-14-20(6,7)24-11-2)18-15-21(8,9)25-12-3/h10-18H2,1-9H3
InChIKeyXAWYAKRSAGPFKH-UHFFFAOYSA-N
MW359.60 g/mol
LogP4.90
Rot. Bonds15

About 3-ethoxy-N,N-bis(3-ethoxy-3-methylbutyl)-3-methylbutan-1-amine

3-ethoxy-N,N-bis(3-ethoxy-3-methylbutyl)-3-methylbutan-1-amine (PubChem CID 155135764) has the molecular formula C21H45NO3 and a molecular weight of 359.60 g/mol. Its IUPAC name is 3-ethoxy-N,N-bis(3-ethoxy-3-methylbutyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N,N-bis(3-ethoxy-3-methylbutyl)-3-methylbutan-1-amine
PubChem CID155135764
Molecular FormulaC21H45NO3
Molecular Weight359.60 g/mol
Exact Mass359.34
IUPAC Name3-ethoxy-N,N-bis(3-ethoxy-3-methylbutyl)-3-methylbutan-1-amine
SMILESCCOC(C)(C)CCN(CCC(C)(C)OCC)CCC(C)(C)OCC
InChIInChI=1S/C21H45NO3/c1-10-23-19(4,5)13-16-22(17-14-20(6,7)24-11-2)18-15-21(8,9)25-12-3/h10-18H2,1-9H3
InChIKeyXAWYAKRSAGPFKH-UHFFFAOYSA-N
XLogP4.90
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.60
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N,N-bis(3-ethoxy-3-methylbutyl)-3-methylbutan-1-amine?
The IUPAC name of 3-ethoxy-N,N-bis(3-ethoxy-3-methylbutyl)-3-methylbutan-1-amine (CID 155135764) is 3-ethoxy-N,N-bis(3-ethoxy-3-methylbutyl)-3-methylbutan-1-amine.
What is the SMILES notation for 3-ethoxy-N,N-bis(3-ethoxy-3-methylbutyl)-3-methylbutan-1-amine?
The canonical SMILES for 3-ethoxy-N,N-bis(3-ethoxy-3-methylbutyl)-3-methylbutan-1-amine is CCOC(C)(C)CCN(CCC(C)(C)OCC)CCC(C)(C)OCC.
What is the InChIKey of 3-ethoxy-N,N-bis(3-ethoxy-3-methylbutyl)-3-methylbutan-1-amine?
The InChIKey is XAWYAKRSAGPFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45NO3/c1-10-23-19(4,5)13-16-22(17-14-20(6,7)24-11-2)18-15-21(8,9)25-12-3/h10-18H2,1-9H3.
What are the key properties of 3-ethoxy-N,N-bis(3-ethoxy-3-methylbutyl)-3-methylbutan-1-amine?
3-ethoxy-N,N-bis(3-ethoxy-3-methylbutyl)-3-methylbutan-1-amine has a molecular weight of 359.60 g/mol, XLogP of 4.90, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N,N-bis(3-ethoxy-3-methylbutyl)-3-methylbutan-1-amine is sourced from PubChem (CID 155135764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).