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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Related Compounds

O-[1-[4-[bis(3-ethoxy-3-methylbutyl)amino]-2-methylbutan-2-yl]oxy-2-methylpropan-2-yl]hydroxylamine
CID 166839499
2-ethoxy-2-methylundecane
CID 150956805
(3-ethoxy-3-methylbutyl)hydrazine
CID 174243027
5-ethoxy-5-methylhex-1-yne
CID 126603890
N'-(2-aminoethyl)-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine
CID 103034073
1-bromo-6-ethoxy-3,6-dimethylhept-2-ene
CID 54542765
2,2,5,5-tetraethoxyhexane
CID 42611383
N'-butyl-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine
CID 103034042
2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
2-(2-ethoxy-2-methylpropoxy)-2-methylbutane
CID 91499831

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).