N,N-diethyl-2-(3-ethyl-6-methoxy-5-pentan-3-yloxyhexan-3-yl)oxyethanamine

C20H43NO3 — CID 90880172

IUPACN,N-diethyl-2-(3-ethyl-6-methoxy-5-pentan-3-yloxyhexan-3-yl)oxyethanamine
SMILESCCC(CC)OC(COC)CC(CC)(CC)OCCN(CC)CC
InChIInChI=1S/C20H43NO3/c1-8-18(9-2)24-19(17-22-7)16-20(10-3,11-4)23-15-14-21(12-5)13-6/h18-19H,8-17H2,1-7H3
InChIKeyDAYLZWVUKPICSK-UHFFFAOYSA-N
MW345.57 g/mol
LogP4.51
Rot. Bonds16

About N,N-diethyl-2-(3-ethyl-6-methoxy-5-pentan-3-yloxyhexan-3-yl)oxyethanamine

N,N-diethyl-2-(3-ethyl-6-methoxy-5-pentan-3-yloxyhexan-3-yl)oxyethanamine (PubChem CID 90880172) has the molecular formula C20H43NO3 and a molecular weight of 345.57 g/mol. Its IUPAC name is N,N-diethyl-2-(3-ethyl-6-methoxy-5-pentan-3-yloxyhexan-3-yl)oxyethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(3-ethyl-6-methoxy-5-pentan-3-yloxyhexan-3-yl)oxyethanamine
PubChem CID90880172
Molecular FormulaC20H43NO3
Molecular Weight345.57 g/mol
Exact Mass345.32
IUPAC NameN,N-diethyl-2-(3-ethyl-6-methoxy-5-pentan-3-yloxyhexan-3-yl)oxyethanamine
SMILESCCC(CC)OC(COC)CC(CC)(CC)OCCN(CC)CC
InChIInChI=1S/C20H43NO3/c1-8-18(9-2)24-19(17-22-7)16-20(10-3,11-4)23-15-14-21(12-5)13-6/h18-19H,8-17H2,1-7H3
InChIKeyDAYLZWVUKPICSK-UHFFFAOYSA-N
XLogP4.51
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(diethylamino)ethoxy]-4-ethyl-2-methyl-2-pentan-3-yloxyhexan-1-ol
CID 91276899
N-[2-[2-(diethylamino)ethoxy]-3-methoxypropyl]-2-methylpropan-1-amine
CID 103228309
N-(2-chloro-3-methoxypropyl)-N',N'-diethyl-N-methylethane-1,2-diamine
CID 107913644
N,N-diethyl-3-methoxypropan-1-amine;ethane
CID 142226095
3-[2-(diethylamino)ethoxymethyl]pentan-3-amine
CID 64571654
N',N'-diethyl-N-[(2R)-1-methoxypropan-2-yl]ethane-1,2-diamine
CID 28571173
ethane;N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 143133671
N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 59535628
N,N-diethyl-2-(methylaminooxy)ethanamine
CID 143582118
2-(2,2-dimethylpropyl)-N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 107473280
2-[[ethyl(2-methoxyethyl)amino]methyl]-2-methylbutanoic acid
CID 62271797
2-(bromomethyl)-N,2-diethyl-N-(2-methoxyethyl)butan-1-amine
CID 65003436

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-ethyl-6-methoxy-5-pentan-3-yloxyhexan-3-yl)oxyethanamine?
The IUPAC name of N,N-diethyl-2-(3-ethyl-6-methoxy-5-pentan-3-yloxyhexan-3-yl)oxyethanamine (CID 90880172) is N,N-diethyl-2-(3-ethyl-6-methoxy-5-pentan-3-yloxyhexan-3-yl)oxyethanamine.
What is the SMILES notation for N,N-diethyl-2-(3-ethyl-6-methoxy-5-pentan-3-yloxyhexan-3-yl)oxyethanamine?
The canonical SMILES for N,N-diethyl-2-(3-ethyl-6-methoxy-5-pentan-3-yloxyhexan-3-yl)oxyethanamine is CCC(CC)OC(COC)CC(CC)(CC)OCCN(CC)CC.
What is the InChIKey of N,N-diethyl-2-(3-ethyl-6-methoxy-5-pentan-3-yloxyhexan-3-yl)oxyethanamine?
The InChIKey is DAYLZWVUKPICSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO3/c1-8-18(9-2)24-19(17-22-7)16-20(10-3,11-4)23-15-14-21(12-5)13-6/h18-19H,8-17H2,1-7H3.
What are the key properties of N,N-diethyl-2-(3-ethyl-6-methoxy-5-pentan-3-yloxyhexan-3-yl)oxyethanamine?
N,N-diethyl-2-(3-ethyl-6-methoxy-5-pentan-3-yloxyhexan-3-yl)oxyethanamine has a molecular weight of 345.57 g/mol, XLogP of 4.51, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-ethyl-6-methoxy-5-pentan-3-yloxyhexan-3-yl)oxyethanamine is sourced from PubChem (CID 90880172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).