3-ethoxy-N,N-dimethyl-2-octan-4-yloxypropan-1-amine

C15H33NO2 — CID 123359366

IUPAC3-ethoxy-N,N-dimethyl-2-octan-4-yloxypropan-1-amine
SMILESCCCCC(CCC)OC(COCC)CN(C)C
InChIInChI=1S/C15H33NO2/c1-6-9-11-14(10-7-2)18-15(12-16(4)5)13-17-8-3/h14-15H,6-13H2,1-5H3
InChIKeyJZDPMOWODMPGBI-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.33
Rot. Bonds12

About 3-ethoxy-N,N-dimethyl-2-octan-4-yloxypropan-1-amine

3-ethoxy-N,N-dimethyl-2-octan-4-yloxypropan-1-amine (PubChem CID 123359366) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is 3-ethoxy-N,N-dimethyl-2-octan-4-yloxypropan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N,N-dimethyl-2-octan-4-yloxypropan-1-amine
PubChem CID123359366
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Name3-ethoxy-N,N-dimethyl-2-octan-4-yloxypropan-1-amine
SMILESCCCCC(CCC)OC(COCC)CN(C)C
InChIInChI=1S/C15H33NO2/c1-6-9-11-14(10-7-2)18-15(12-16(4)5)13-17-8-3/h14-15H,6-13H2,1-5H3
InChIKeyJZDPMOWODMPGBI-UHFFFAOYSA-N
XLogP3.33
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-ethoxy-2-methoxy-N,N-dimethylpropan-1-amine
CID 118521701
4-hexadecan-5-yloxyhexadecane
CID 57069400
4-icosan-4-yloxyicosane
CID 87313284
2-(1,3-diethoxypropan-2-yloxy)-1,3-diethoxypropane
CID 87533992
acetic acid;4-octan-4-yloxyoctane
CID 175036803
16-tetratriacontan-16-yloxytetratriacontane
CID 91150918
6-tricosan-6-yloxytricosane
CID 57279617
di(octan-4-yloxy)iodanium
CID 175807144
1-octan-4-yloxypropan-1-ol
CID 141313550
1-ethoxyhexan-2-yl hydrogen carbonate
CID 139923308
N,N-dimethyl-1-tricosan-5-yloxybutan-1-amine
CID 175125947
3-ethoxy-1-N,1-N-dimethylpropane-1,2-diamine
CID 79570499

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N,N-dimethyl-2-octan-4-yloxypropan-1-amine?
The IUPAC name of 3-ethoxy-N,N-dimethyl-2-octan-4-yloxypropan-1-amine (CID 123359366) is 3-ethoxy-N,N-dimethyl-2-octan-4-yloxypropan-1-amine.
What is the SMILES notation for 3-ethoxy-N,N-dimethyl-2-octan-4-yloxypropan-1-amine?
The canonical SMILES for 3-ethoxy-N,N-dimethyl-2-octan-4-yloxypropan-1-amine is CCCCC(CCC)OC(COCC)CN(C)C.
What is the InChIKey of 3-ethoxy-N,N-dimethyl-2-octan-4-yloxypropan-1-amine?
The InChIKey is JZDPMOWODMPGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-6-9-11-14(10-7-2)18-15(12-16(4)5)13-17-8-3/h14-15H,6-13H2,1-5H3.
What are the key properties of 3-ethoxy-N,N-dimethyl-2-octan-4-yloxypropan-1-amine?
3-ethoxy-N,N-dimethyl-2-octan-4-yloxypropan-1-amine has a molecular weight of 259.43 g/mol, XLogP of 3.33, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N,N-dimethyl-2-octan-4-yloxypropan-1-amine is sourced from PubChem (CID 123359366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).